Publications

Aksoy ÖM, Mudry C, Furusaki A, Tiwari A
Lieb-Schultz-Mattis anomalies and web of dualities induced by gauging in quantum spin chains
SciPost Physics. 2024; 16(1): 022 (72 pp.). https://doi.org/10.21468/SciPostPhys.16.1.022
DORA PSI

Amato L, Müller M
Ultrafast light-induced long-range antiferromagnetic correlations in paramagnets
Physical Review B. 2024; 109(5): 054424 (11 pp.). https://doi.org/10.1103/PhysRevB.109.054424
DORA PSI

Bagchi M, Brede J, Ramires A, Ando Y
Rotation of gap nodes in the topological superconductor Cu_x(PbSe)₅(Bi₂Se₃)₆
Physical Review B. 2024; 109(10): 104507 (10 pp.). https://doi.org/10.1103/PhysRevB.109.104507
DORA PSI

Beckert A, Grimm M, Wili N, Tschaggelar R, Jeschke G, Matmon G, et al.
Emergence of highly coherent two-level systems in a noisy and dense quantum network
Nature Physics. 2024; 20: 472-478. https://doi.org/10.1038/s41567-023-02321-y
DORA PSI

Bocquet H, Derlet PM
Robust theory of thermal activation in magnetic systems with Gilbert damping
Physical Review B. 2024; 110(13): 134419 (13 pp.). https://doi.org/10.1103/PhysRevB.110.134419
DORA PSI

Chesser I, Derlet PM, Mishra A, Paguaga S, Mathew N, Dang K, et al.
Structure and migration of heavily irradiated grain boundaries and dislocations in Ni in the athermal limit
Physical Review Materials. 2024; 8(9): 093606 (18 pp.). https://doi.org/10.1103/PhysRevMaterials.8.093606
DORA PSI

Cui XY, Vu KN, Ringer SP, Delley B, Stampfl C
Electronic and magnetic properties of cobalt clusters on pristine and divacancy graphene
Journal of Magnetism and Magnetic Materials. 2024; 612: 172633 (16 pp.). https://doi.org/10.1016/j.jmmm.2024.172633
DORA PSI

Dey A, Mross DF
Entanglement spectroscopy of anomalous surface states
Physical Review Research. 2024; 6(2): 023047 (10 pp.). https://doi.org/10.1103/PhysRevResearch.6.023047
DORA PSI

Dey S, Chen A, Basteiro P, Fritzsche A, Greiter M, Kaminski M, et al.
Simulating holographic conformal field theories on hyperbolic lattices
Physical Review Letters. 2024; 133(6): 061603 (7 pp.). https://doi.org/10.1103/PhysRevLett.133.061603
DORA PSI

Fadler P, Schmidt KP, Li J, Eckstein M
Engineering photon-mediated long-range spin interactions in Mott insulators
Physical Review B. 2024; 109(8): 085149 (23 pp.). https://doi.org/10.1103/PhysRevB.109.085149
DORA PSI

Fan Y, Xi N, Liu C, Normand B, Yu R
Field-controlled multicritical behavior and emergent universality in fully frustrated quantum magnets
npj Quantum Materials. 2024; 9(1): 25 (9 pp.). https://doi.org/10.1038/s41535-024-00636-4
DORA PSI

Fan Z, Zhang JF, Zhan B, Lv D, Jiang XY, Normand B, et al.
Superconductivity in nickelate and cuprate superconductors with strong bilayer coupling
Physical Review B. 2024; 110(2): 024514 (10 pp.). https://doi.org/10.1103/PhysRevB.110.024514
DORA PSI

Fogh E, Nayak M, Prokhnenko O, Bartkowiak M, Munakata K, Soh JR, et al.
Field-induced bound-state condensation and spin-nematic phase in SrCu₂(BO₃)₂ revealed by neutron scattering up to 25.9 T
Nature Communications. 2024; 15(1): 442 (10 pp.). https://doi.org/10.1038/s41467-023-44115-z
DORA PSI

Fogh E, Giriat G, Zayed ME, Piovano A, Boehm M, Steffens P, et al.
Spin waves and three dimensionality in the high-pressure antiferromagnetic phase of SrCu₂ (BO₃)₂
Physical Review Letters. 2024; 133(24): 246702 (7 pp.). https://doi.org/10.1103/PhysRevLett.133.246702
DORA PSI

Gangapuram AJ, Läuchli A, Hempel C
Benchmarking quantum computer simulation software packages: state vector simulators
SciPost Physics Core. 2024; 7(4): 075 (28 pp.). https://doi.org/10.21468/SciPostPhysCore.7.4.075
DORA PSI

Guguchia Z, Das D, Simutis G, Adachi T, Küspert J, Kitajima N, et al.
Designing the stripe-ordered cuprate phase diagram through uniaxial-stress
Proceedings of the National Academy of Sciences of the United States of America PNAS. 2024; 121(1): e2303423120 (9 pp.). https://doi.org/10.1073/pnas.2303423120
DORA PSI

Hemmatzade A, Essafi K, Taillefumier M, Müller M, Fennell T, Derlet PM
Fluctuation-induced spin nematic order in magnetic charge ice
Physical Review B. 2024; 109(22): 224423 (15 pp.). https://doi.org/10.1103/PhysRevB.109.224423
DORA PSI

Huang RZ, Zhang L, Läuchli AM, Haegeman J, Verstraete F, Vanderstraeten L
Emergent conformal boundaries from finite-entanglement scaling in matrix product states
Physical Review Letters. 2024; 132(8): 086503 (6 pp.). https://doi.org/10.1103/PhysRevLett.132.086503
DORA PSI

Jamadagni A, Kazemi J, Bhattacharyya A
Kibble-Zurek mechanism and errors of gapped quantum phases
Physical Review B. 2024; 110(4): 045140 (17 pp.). https://doi.org/10.1103/PhysRevB.110.045140
DORA PSI

Jaouni T, Di Colandrea F, Amato L, Cardano F, Karimi E
Process tomography of structured optical gates with convolutional neural networks
Machine Learning: Science and Technology. 2024; 5(4): 045071 (13 pp.). https://doi.org/10.1088/2632-2153/ad9ba8
DORA PSI

Kavokine N, Müller M, Georges A, Parcollet O
Exact numerical solution of the fully connected classical and quantum Heisenberg spin glass
Physical Review Letters. 2024; 133(1): 016501 (6 pp.). https://doi.org/10.1103/PhysRevLett.133.016501
DORA PSI

Lee WC, Yu L, Oscarsson J, Ochapski MW, Sagehashi R, Zhang Y, et al.
Monolayer calibration of endofullerenes with x-ray absorption from implanted keV ion doses
Journal of Vacuum Science and Technology A: Vacuum, Surfaces, and Films. 2024; 42(2): 023406 (5 pp.). https://doi.org/10.1116/6.0003302
DORA PSI

Li C, Hu Z, Hou X, Xu S, Wu Z, Du K, et al.
Molecular intercalation in the van der Waals antiferromagnets FePS₃ and NiPS₃
Physical Review B. 2024; 109(18): 184407 (11 pp.). https://doi.org/10.1103/PhysRevB.109.184407
DORA PSI

Lin R, Ramires A, Chitra R
Decoding the drive-bath interplay: a guideline to enhance superconductivity
Physical Review Letters. 2024; 133(8): 086001 (7 pp.). https://doi.org/10.1103/PhysRevLett.133.086001
DORA PSI

Maeno Y, Yonezawa S, Ramires A
Still mystery after all these years - unconventional superconductivity of Sr₂RuO₄
Journal of the Physical Society of Japan. 2024; 93(6): 062001 (45 pp.). https://doi.org/10.7566/JPSJ.93.062001
DORA PSI

Mankowsky R, Müller M, Sander M, Zerdane S, Liu X, Babich D, et al.
Coherent control of rare earth 4f shell wavefunctions in the quantum spin liquid Tb₂Ti₂O₇
Nature Communications. 2024; 15(1): 7183 (6 pp.). https://doi.org/10.1038/s41467-024-51339-0
DORA PSI

Philippe J, Elson F, Casati NPM, Sanz S, Metzelaars M, Shliakhtun O, et al.
(C₅H₉NH₃)₂CuBr₄: A metal-organic two-ladder quantum magnet
Physical Review B. 2024; 110(9): 094101 (13 pp.). https://doi.org/10.1103/PhysRevB.110.094101
DORA PSI

Riechers B, Das A, Dufresne E, Derlet PM, Maaß R
Intermittent cluster dynamics and temporal fractional diffusion in a bulk metallic glass
Nature Communications. 2024; 15(1): 6595 (9 pp.). https://doi.org/10.1038/s41467-024-50758-3
DORA PSI

Romankov V, Bernhardt M, Heinrich M, Vaclavkova D, Harriman K, Daffé N, et al.
Orientation-driven large magnetic hysteresis of Er(III) cyclooctatetraenide-based single-ion magnets adsorbed on Ag(100)
Small Science. 2024; 4(8): 2400115 (11 pp.). https://doi.org/10.1002/smsc.202400115
DORA PSI

Sen S, Deupi X
Study of photoselectivity in linear conjugated chromophores using the XMS-CASPT2 method
ACS Physical Chemistry Au. 2024; 4(6): 736-749. https://doi.org/10.1021/acsphyschemau.4c00065
DORA PSI

Shin S, Ramires A, Pomjakushin V, Plokhikh I, Pomjakushina E
Ferromagnetic quantum critical point protected by nonsymmorphic symmetry in a Kondo metal
Nature Communications. 2024; 15(1): 8423 (7 pp.). https://doi.org/10.1038/s41467-024-52720-9
DORA PSI

Stricker L, Derlet PM, Demirörs AF, Vutukuri HR, Vermant J
Unifying Atoms and colloids near the glass transition through bond-order topology
Physical Review Letters. 2024; 132(21): 218202 (7 pp.). https://doi.org/10.1103/PhysRevLett.132.218202
DORA PSI

Szabó AL, Ramires A
Superconductivity-induced improper orders in nonsymmorphic systems
Physical Review B. 2024; 110(18): L180503 (6 pp.). https://doi.org/10.1103/PhysRevB.110.L180503
DORA PSI

Tejero O, Pamula F, Koyanagi M, Nagata T, Afanasyev P, Das I, et al.
Active state structures of a bistable visual opsin bound to G proteins
Nature Communications. 2024; 15(1): 8928 (13 pp.). https://doi.org/10.1038/s41467-024-53208-2
DORA PSI

Tummuru T, Chen A, Lenggenhager PM, Neupert T, Maciejko J, Bzdušek T
Hyperbolic Non-Abelian semimetal
Physical Review Letters. 2024; 132(20): 206601 (7 pp.). https://doi.org/10.1103/PhysRevLett.132.206601
DORA PSI

Wang Z, Riechers B, Derlet PM, Maaß R
Atomic cluster dynamics causes intermittent aging of metallic glasses
Acta Materialia. 2024; 267: 119730 (9 pp.). https://doi.org/10.1016/j.actamat.2024.119730
DORA PSI

Wang J, Beyer D, Vaccarin C, He Y, Tanriver M, Benoit R, et al.
Development of radiofluorinated MLN-4760 derivatives for PET imaging of the SARS-CoV-2 entry receptor ACE2
European Journal of Nuclear Medicine and Molecular Imaging. 2024; 52: 9-21. https://doi.org/10.1007/s00259-024-06831-6
DORA PSI

Wang J, Normand B, Liu ZX
Multinode quantum spin liquids in extended Kitaev honeycomb models
npj Quantum Materials. 2024; 9: 94 (11 pp.). https://doi.org/10.1038/s41535-024-00704-9
DORA PSI

Wietek A, Capponi S, Läuchli AM
Quantum electrodynamics in 2+1 dimensions as the organizing principle of a triangular lattice antiferromagnet
Physical Review X. 2024; 14(2): 021010 (16 pp.). https://doi.org/10.1103/PhysRevX.14.021010
DORA PSI

Wilhelm PH, Läuchli AM, Scheurer MS
Ideal Chern bands with strong short-range repulsion: applications to correlated metals, superconductivity, and topological order
Physical Review Research. 2024; 6(4): 043240 (20 pp.). https://doi.org/10.1103/PhysRevResearch.6.043240
DORA PSI

Wilhelm PH, Kwan YH, Läuchli AM, Parameswaran SA
Supersymmetry on the honeycomb lattice: Resonating charge stripes, superfrustration, and domain walls
Physical Review B. 2024; 110(16): 165124 (14 pp.). https://doi.org/10.1103/PhysRevB.110.165124
DORA PSI

Wu D, Rossi R, Vicentini F, Astrakhantsev N, Becca F, Cao X, et al.
Variational benchmarks for quantum many-body problems
Science. 2024; 386(6719): 296-301. https://doi.org/10.1126/science.adg9774
DORA PSI

Xie T, Gozel S, Xing J, Zhao N, Avdoshenko SM, Wu L, et al.
Quantum spin dynamics due to strong Kitaev interactions in the triangular-lattice antiferromagnet CsCeSe₂
Physical Review Letters. 2024; 133(9): 096703 (8 pp.). https://doi.org/10.1103/PhysRevLett.133.096703
DORA PSI

Xie T, Zhao N, Gozel S, Xing J, Avdoshenko SM, Taddei KM, et al.
Stripe magnetic order and field-induced quantum criticality in the perfect triangular-lattice antiferromagnet CsCeSe₂
Physical Review B. 2024; 110(5): 054445 (14 pp.). https://doi.org/10.1103/PhysRevB.110.054445
DORA PSI

Xu J, Chen G, Wang H, Cao S, Heng J, Deupi X, et al.
Calcineurin-fusion facilitates cryo-EM structure determination of a family A GPCR
Proceedings of the National Academy of Sciences of the United States of America PNAS. 2024; 121(48): e2414544121 (7 pp.). https://doi.org/10.1073/pnas.2414544121
DORA PSI

Yadav R, Sharma A, Das B, Majumder C, Das A, Sen S, et al.
Air and water stable bicyclic (Alkyl)(Amino)carbene stabilized phosphenium cation: reactivity and selective fluoride ion affinity
Chemistry: A European Journal. 2024; 30(62): e202401730 (10 pp.). https://doi.org/10.1002/chem.202401730
DORA PSI

Aksoy ÖM, Chandrasekaran A, Tiwari A, Neupert T, Chamon C, Mudry C
Single monkey-saddle singularity of a Fermi surface and its instabilities
Physical Review B. 2023; 107(20): 205129 (13 pp.). https://doi.org/10.1103/PhysRevB.107.205129
DORA PSI

Beyer D, Vaccarin C, Deupi X, Mapanao AK, Cohrs S, Sozzi-Guo F, et al.
A tool for nuclear imaging of the SARS-CoV-2 entry receptor: molecular model and preclinical development of ACE2-selective radiopeptides
EJNMMI Research. 2023; 13(1): 32 (14 pp.). https://doi.org/10.1186/s13550-023-00979-2
DORA PSI

Bocquet H, Derlet PM
Searching for activated transitions in complex magnetic systems
Physical Review B. 2023; 108(17): 174419 (14 pp.). https://doi.org/10.1103/PhysRevB.108.174419
DORA PSI

Chen C, Bornet G, Bintz M, Emperauger G, Leclerc L, Liu VS, et al.
Continuous symmetry breaking in a two-dimensional Rydberg array
Nature. 2023; 616: 691 (21 pp.). https://doi.org/10.1038/s41586-023-05859-2
DORA PSI

Chen A, Brand H, Helbig T, Hofmann T, Imhof S, Fritzsche A, et al.
Hyperbolic matter in electrical circuits with tunable complex phases
Nature Communications. 2023; 14: 622 (8 pp.). https://doi.org/10.1038/s41467-023-36359-6
DORA PSI

Chen A, Guan Y, Lenggenhager PM, Maciejko J, Boettcher I, Bzdušek T
Symmetry and topology of hyperbolic Haldane models
Physical Review B. 2023; 108(8): 085114 (42 pp.). https://doi.org/10.1103/PhysRevB.108.085114
DORA PSI

Cugliandolo LF, Müller M
Quantum glasses
In: Charbonneau P, Marinari E, Mézard M, Parisi G, Ricci-Tersenghi F, Sicuro G, et al., eds. Spin glass theory and far beyond​. Replica symmetry breaking after 40 years. Singapore: World Scientific; 2023:353-374. https://doi.org/10.1142/9789811273926_0018
DORA PSI

D'Emidio J, Eberharter AA, Läuchli AM
Diagnosing weakly first-order phase transitions by coupling to order parameters
SciPost Physics. 2023; 15(2): 061 (24 pp.). https://doi.org/10.21468/SciPostPhys.15.2.061
DORA PSI

Das K, Pandey M, Chakraborty S, Sen S, Halder S
Development of colorimetric probe for the selective detection of Hg^II
Australian Journal of Chemistry. 2023; 76(9): 581-589. https://doi.org/10.1071/CH23058
DORA PSI

Das A, Ott C, Pechimuthu D, Moosavi R, Stoica M, Derlet PM, et al.
Shear-band cavitation determines the shape of the stress-strain curve of metallic glasses
Physical Review Materials. 2023; 7(2): 023602 (11 pp.). https://doi.org/10.1103/PhysRevMaterials.7.023602
DORA PSI

Di Colandrea F, Amato L, Schiattarella R, Dauphin A, Cardano F
Retrieving space-dependent polarization transformations via near-optimal quantum process tomography
Optics Express. 2023; 31(20): 31698-31717. https://doi.org/10.1364/OE.491518
DORA PSI

Dubbert J, Valtolina M, Huber A, Scherz TD, Wölper C, Daniliuc CG, et al.
Tuning the emission behaviour of halogenated bridged ethers in solution, as solids and as aggregates by chalcogen substitution
ChemPhotoChem. 2023; 7(1): e202200169 (8 pp.). https://doi.org/10.1002/cptc.202200169
DORA PSI

Eberharter AA, Vanderstraeten L, Verstraete F, Läuchli AM
Extracting the speed of light from matrix product states
Physical Review Letters. 2023; 131(22): 226502 (7 pp.). https://doi.org/10.1103/PhysRevLett.131.226502
DORA PSI

Giorgianni F, Wehinger B, Allenspach S, Colonna N, Vicario C, Puphal P, et al.
Ultrafast frustration breaking and magnetophononic driving of singlet excitations in a quantum magnet
Physical Review B. 2023; 107(18): 184440 (19 pp.). https://doi.org/10.1103/PhysRevB.107.184440
DORA PSI

Grinenko V, Sarkar R, Ghosh S, Das D, Guguchia Z, Luetkens H, et al.
μSR measurements on Sr₂RuO₄ under ⟨110⟩ uniaxial stress
Physical Review B. 2023; 107(2): 024508 (8 pp.). https://doi.org/10.1103/PhysRevB.107.024508
DORA PSI

Gruhl T, Weinert T, Rodrigues MJ, Milne CJ, Ortolani G, Nass K, et al.
Ultrafast structural changes direct the first molecular events of vision
Nature. 2023; 615: 939-944. https://doi.org/10.1038/s41586-023-05863-6
DORA PSI

Heng J, Hu Y, Pérez-Hernández G, Inoue A, Zhao J, Ma X, et al.
Function and dynamics of the intrinsically disordered carboxyl terminus of β2 adrenergic receptor
Nature Communications. 2023; 14(1): 2005 (18 pp.). https://doi.org/10.1038/s41467-023-37233-1
DORA PSI

Jamadagni A, Kazemi J, Weimer H
Learning of error statistics for the detection of quantum phases
Physical Review B. 2023; 107(7): 075146 (9 pp.). https://doi.org/10.1103/PhysRevB.107.075146
DORA PSI

Jobin M-L, De Smedt-Peyrusse V, Ducrocq F, Baccouch R, Oummadi A, Pedersen MH, et al.
Impact of membrane lipid polyunsaturation on dopamine D2 receptor ligand binding and signaling
Molecular Psychiatry. 2023; 28: 1960-1969. https://doi.org/10.1038/s41380-022-01928-6
DORA PSI

Khasanov R, Ramires A, Grinenko V, Shipulin I, Kikugawa N, Sokolov DA, et al.
In-plane magnetic penetration depth in Sr₂RuO₄: muon-spin rotation and relaxation study
Physical Review Letters. 2023; 131(23): 236001 (8 pp.). https://doi.org/10.1103/PhysRevLett.131.236001
DORA PSI

Kim AJ, Lenk K, Li J, Werner P, Eckstein M
Vertex-based diagrammatic treatment of light-matter-coupled systems
Physical Review Letters. 2023; 130(3): 036901 (6 pp.). https://doi.org/10.1103/PhysRevLett.130.036901
DORA PSI

Lee Y, Son S, Kim C, Kang S, Shen J, Kenzelmann M, et al.
Giant magnetic anisotropy in the atomically thin van der Waals antiferromagnet FePS₃
Advanced Electronic Materials. 2023; 9(2): 2200650 (8 pp.). https://doi.org/10.1002/aelm.202200650
DORA PSI

Lenggenhager PM, Maciejko J, Bzdušek T
Non-abelian hyperbolic band theory from supercells
Physical Review Letters. 2023; 131(22): 226401 (7 pp.). https://doi.org/10.1103/PhysRevLett.131.226401
DORA PSI

Li J, Müller M, Kim AJ, Läuchli AM, Werner P
Twisted chiral superconductivity in photodoped frustrated Mott insulators
Physical Review B. 2023; 107(20): 205115 (15 pp.). https://doi.org/10.1103/PhysRevB.107.205115
DORA PSI

Murakami Y, Takayoshi S, Kaneko T, Läuchli AM, Werner P
Spin, charge, and η-spin separation in one-dimensional photodoped Mott insulators
Physical Review Letters. 2023; 130(10): 106501 (7 pp.). https://doi.org/10.1103/PhysRevLett.130.106501
DORA PSI

Omiya K, Müller M
Fractionalization paves the way to local projector embeddings of quantum many-body scars
Physical Review B. 2023; 108(5): 054412 (18 pp.). https://doi.org/10.1103/PhysRevB.108.054412
DORA PSI

Omiya K, Müller M
Quantum many-body scars in bipartite Rydberg arrays originating from hidden projector embedding
Physical Review A. 2023; 107(2): 023318 (20 pp.). https://doi.org/10.1103/PhysRevA.107.023318
DORA PSI

Petocchi F, Chen J, Li J, Eckstein M, Werner P
Photoinduced charge dynamics in 1T-TaS₂
Physical Review B. 2023; 107(16): 165102 (12 pp.). https://doi.org/10.1103/PhysRevB.107.165102
DORA PSI

Qu J, Han X, Sakamoto S, Jia CJ, Liu J, Li H, et al.
Reversal of spin-polarization near the Fermi level of the Rashba semiconductor BiTeCl
npj Quantum Materials. 2023; 8(1): 13 (6 pp.). https://doi.org/10.1038/s41535-023-00546-x
DORA PSI

Rakcheev A, Läuchli AM
Diabatic quantum and classical annealing of the Sherrington-Kirkpatrick model
Physical Review A. 2023; 107(6): 062602 (19 pp.). https://doi.org/10.1103/PhysRevA.107.062602
DORA PSI

Riechers B, Ott C, Mohan Das S, Liebscher CH, Samwer K, Derlet PM, et al.
On the elastic microstructure of bulk metallic glasses
Materials and Design. 2023; 229: 111929 (8 pp.). https://doi.org/10.1016/j.matdes.2023.111929
DORA PSI

Sagehashi R, Lee WC, Liu F, Popov AA, Muntwiler M, Delley B, et al.
Inferring the Dy-N axis orientation in adsorbed DySc₂N@C₈₀ endofullerenes by linearly polarized x-ray absorption spectroscopy
Physical Review Materials. 2023; 7(8): 086001 (6 pp.). https://doi.org/10.1103/PhysRevMaterials.7.086001
DORA PSI

Schuler M, Henry LP, Lu YM, Läuchli AM
Emergent XY* transition driven by symmetry fractionalization and anyon condensation
SciPost Physics. 2023; 14(1): 001 (36 pp.). https://doi.org/10.21468/SciPostPhys.14.1.001
DORA PSI

Shipulin I, Stegani N, Maccari I, Kihou K, Lee C-H, Hu Q, et al.
Calorimetric evidence for two phase transitions in Ba_1-xK_xFe₂As₂ with fermion pairing and quadrupling states
Nature Communications. 2023; 14(1): 6734 (9 pp.). https://doi.org/10.1038/s41467-023-42459-0
DORA PSI

Venditti G, Maccari I, Lorenzana J, Caprara S
Phenomenological XXZ model for the competition between superconductivity and charge order in cuprates
SciPost Physics. 2023; 15(6): 230 (34 pp.). https://doi.org/10.21468/SciPostPhys.15.6.230
DORA PSI

Wilhelm PH, Lang TC, Scheurer MS, Läuchli AM
Non-coplanar magnetism, topological density wave order and emergent symmetry at half-integer filling of moiré Chern bands
SciPost Physics. 2023; 14(3): 040 (32 pp.). https://doi.org/10.21468/SciPostPhys.14.3.040
DORA PSI

Xie T, Eberharter AA, Xing J, Nishimoto S, Brando M, Khanenko P, et al.
Complete field-induced spectral response of the spin-1/2 triangular-lattice antiferromagnet CsYbSe₂
npj Quantum Materials. 2023; 8: 48 (9 pp.). https://doi.org/10.1038/s41535-023-00580-9
DORA PSI

Yarmohammadi M, Krebs M, Uhrig GS, Normand B
Strong-coupling magnetophononics: self-blocking, phonon-bitriplons, and spin-band engineering
Physical Review B. 2023; 107(17): 174415 (23 pp.). https://doi.org/10.1103/PhysRevB.107.174415
DORA PSI

Aksoy ÖM, Mudry C
Elementary derivation of the stacking rules of invertible fermionic topological phases in one dimension
Physical Review B. 2022; 106(3): 035117 (22 pp.). https://doi.org/10.1103/PhysRevB.106.035117
DORA PSI

Beck S, Hampel A, Zingl M, Timm C, Ramires A
Effects of strain in multiorbital superconductors: the case of Sr₂RuO₄
Physical Review Research. 2022; 4(2): 023060 (7 pp.). https://doi.org/10.1103/PhysRevResearch.4.023060
DORA PSI

Beckert A, Grimm M, Hermans RI, Freeman JR, Linfield EH, Davies AG, et al.
Precise determination of the low-energy electronuclear Hamiltonian of LiY_1-xHo_xF₄
Physical Review B. 2022; 106(11): 115119 (11 pp.). https://doi.org/10.1103/PhysRevB.106.115119
DORA PSI

Bzdušek T, Maciejko J
Flat bands and band-touching from real-space topology in hyperbolic lattices
Physical Review B. 2022; 106(15): 155146 (18 pp.). https://doi.org/10.1103/PhysRevB.106.155146
DORA PSI

Chen G, Khosravian M, Lado JL, Ramires A
Designing spin-textured flat bands in twisted graphene multilayers via helimagnet encapsulation
2D Materials. 2022; 9(2): 024002 (11 pp.). https://doi.org/10.1088/2053-1583/ac4af8
DORA PSI

Choo K, Lapierre B, Kuhlenkamp C, Tiwari A, Neupert T, Chitra R
Thermal and dissipative effects on the heating transition in a driven critical system
SciPost Physics. 2022; 13(5): 104 (26 pp.). https://doi.org/10.21468/SCIPOSTPHYS.13.5.104
DORA PSI

Collu G, Bierig T, Krebs A-S, Engilberge S, Varma N, Guixà-González R, et al.
Chimeric single α-helical domains as rigid fusion protein connections for protein nanotechnology and structural biology
Structure. 2022; 30(1): 95-106. https://doi.org/10.1016/j.str.2021.09.002
DORA PSI

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Observation of transient and asymptotic driven structural states of tungsten exposed to radiation
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Müller M, Derlet PM, Mudry C, Aeppli G
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Padhi B, Tiwari A, Neupert T, Ryu S
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Scaramucci A, Shinaoka H, Mostovoy MV, Lin R, Mudry C, Müller M
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Shimanek J, Rizzardi Q, Sparks G, Derlet PM, Maaß R
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Sun X-Q, Wojcik CC, Fan S, Bzdušek T
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Tiwari A, Jahin A, Wang Y
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Tiwari A, Bzdušek T
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Tiwari A, Li M-H, Bernevig BA, Neupert T, Parameswaran SA
Unhinging the surfaces of higher-order topological insulators and superconductors
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Wessler C, Roessli B, Krämer KW, Delley B, Waldmann O, Keller L, et al.
Observation of plaquette fluctuations in the spin-1/2 honeycomb lattice
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Wojcik CC, Sun X-Q, Bzdušek T, Fan S
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Arava H, Leo N, Schildknecht D, Cui J, Vijayakumar J, Derlet PM, et al.
Engineering relaxation pathways in building blocks of artificial spin ice for computation
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Chen J-H, Mudry C, Chamon C, Tsvelik AM
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Cui T, Schütt M, Orth PP, Fernandes RM
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Das A, Derlet PM, Liu C, Dufresne EM, Maaß R
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Ehrenberg D, Varma N, Deupi X, Koyanagi M, Terakita A, Schertler GFX, et al.
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Grimmer H, Delley B
Density functional theory calculations of merohedric twinning in KLiSO₄
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Jekal S
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Jekal S
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Lehmann J, Donnelly C, Derlet PM, Heyderman LJ, Fiebig M
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Mudry C, Furusaki A, Morimoto T, Hikihara T
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Nagata T, Koyanagi M, Tsukamoto H, Mutt E, Schertler GFX, Deupi X, et al.
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Yang Z-C, Iadecola T, Chamon C, Mudry C
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Baltic R, Donati F, Singha A, Wäckerlin C, Dreiser J, Delley B, et al.
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Gerrard E, Mutt E, Nagata T, Koyanagi M, Flock T, Lesca E, et al.
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Gómez Tamayo JC, Olivella M, Ríos S, Hoogstraat M, Gonzalez A, Mayol E, et al.
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Küchemann S, Derlet PM, Liu C, Rosenthal D, Sparks G, Larson WS, et al.
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Micro-plasticity and recent insights from intermittent and small-scale plasticity
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Prévost B, Gauthier N, Pomjakushin VY, Delley B, Walker HC, Kenzelmann M, et al.
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Thiery T, Huveneers F, Müller M, De Roeck W
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Uzair A, Sabeeh K, Müller M
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Wehinger B, Fiolka C, Lanza A, Scatena R, Kubus M, Grockowiak A, et al.
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Leo N, Holenstein S, Schildknecht D, Sendetskyi O, Luetkens H, Derlet PM, et al.
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Thieltges KM, Avramovic D, Piscitelli CL, Markovic-Mueller S, Binz HK, Ballmer-Hofer K
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Barbero N, Shiroka T, Delley B, Grant T, Machado AJS, Fisk Z, et al.
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Chen J-H, Mudry C, Chamon C, Tsvelik AM
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Derlet PM, Maaß R
Thermal processing and enthalpy storage of a binary amorphous solid: a molecular dynamics study
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Fabbris G, Meyers D, Xu L, Katukuri VM, Hozoi L, Liu X, et al.
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Farhan A, Derlet PM, Anghinolfi L, Kleibert A, Heyderman LJ
Magnetic charge and moment dynamics in artificial kagome spin ice
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Gauthier N, Fennell A, Prévost B, Uldry A-C, Delley B, Sibille R, et al.
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Gornyi IV, Mirlin AD, Müller M, Polyakov DG
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Grimmer H, Delley B
Comparison of experimental and theoretical results for the structure and elastic properties of moganite
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Huang P-H, Chen J-H, Feiguin AE, Chamon C, Mudry C
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Kleibert A, Balan A, Yanes R, Derlet PM, Vaz CAF, Timm M, et al.
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Koenen A, Babendreyer A, Schumacher J, Pasqualon T, Schwarz N, Seifert A, et al.
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Franzen S, Cochran KH, Weng J, Bartolotti L, Delley B
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Huang P-H, Chen J-H, Gomes PRS, Neupert T, Chamon C, Mudry C
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Iadecola T, Neupert T, Chamon C, Mudry C
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Perdew JP, Sun J, Martin RM, Delley B
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Ryzhkov MV, Medvedeva NI, Delley B
Electronic structure and stability of metal-carbon nanoparticles with Cr, Mn, Fe and W impurities
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Singhal A, Guo Y, Matkovic M, Schertler G, Deupi X, Yan ECY, et al.
Structural role of the T94I rhodopsin mutation in congenital stationary night blindness
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Swayamjyoti S, Löffler JF, Derlet PM
Local structural excitations in model glass systems under applied load
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Venkatakrishnan AJ, Deupi X, Lebon G, Heydenreich FM, Flock T, Miljus T, et al.
Diverse activation pathways in class A GPCRs converge near the G-protein-coupling region
Nature. 2016; 536(7617): 484-487. https://doi.org/10.1038/nature19107
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Anghinolfi L, Luetkens H, Perron J, Flokstra MG, Sendetskyi O, Suter A, et al.
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Derlet PM, Maaß R
A probabilistic explanation for the size-effect in crystal plasticity
Philosophical Magazine. 2015; 95(16-18): 1829-1844. https://doi.org/10.1080/14786435.2014.932502
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Derlet PM, Maaß R
Universal power-law strengthening in metals?
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Heidler J, Piamonteze C, Chopdekar RV, Uribe-Laverde MA, Alberca A, Buzzi M, et al.
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Leos NG, White JS, Lim JA, Gavilano JL, Delley B, Lemberger L, et al.
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Lyle MJ, Warschkow O, Delley B, Stampfl C
Molecular adsorption and methanol synthesis on the oxidized Cu/ZnO(0001) surface
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Maaß R, Volkert CA, Derlet PM
Crystal size effect in two dimensions - influence of size and shape
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Maaß R, Derlet PM, Greer JR
Independence of slip velocities on applied stress in small crystals
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Malmerberg E, Bovee-Geurts PHM, Katona G, Deupi X, Arnlund D, Wickstrand C, et al.
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Mazzone DG, Gerber S, Gavilano JL, Sibille R, Medarde M, Delley B, et al.
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Morimoto T, Furusaki A, Mudry C
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Morimoto T, Furusaki A, Mudry C
Breakdown of the topological classification ℤ for gapped phases of noninteracting fermions by quartic interactions
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Neupert T, Chamon C, Iadecola T, Santos LH, Mudry C
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Perea M, Lugtenburg I, Mayol E, Cordomí A, Deupí X, Pardo L, et al.
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Piscitelli CL, Kean J, de Graaf C, Deupi X
A molecular pharmacologist's guide to G protein–coupled receptor crystallography
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Sun D, Flock T, Deupi X, Maeda S, Matkovic M, Mendieta S, et al.
Probing Gα_i1 protein activation at single-amino acid resolution
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Tönnies D, Samwer K, Derlet PM, Volkert CA, Maaß R
Rate-dependent shear-band initiation in a metallic glass
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Vicario C, Ardana-Lamas F, Derlet PM, Tudu B, Luning J, Hauri CP
Coherent ultrafast magnetization dynamics non-resonantly induced in cobalt by an intense terahertz transient
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Wu W, Nogly P, Rheinberger J, Kick LM, Gati C, Nelson G, et al.
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Wäckerlin C, Donati F, Singha A, Baltic R, Uldry A-C, Delley B, et al.
Strong antiferromagnetic exchange between manganese phthalocyanine and ferromagnetic europium oxide
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Zhao X, Strickland DJ, Derlet PM, He M-rigen, Cheng Y-J, Pu J, et al.
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Balan A, Derlet PM, Rodríguez AF, Bansmann J, Yanes R, Nowak U, et al.
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Derlet PM, Maaß R
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Deupi X
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Farhan A, Kleibert A, Derlet PM, Anghinolfi L, Balan A, Chopdekar RV, et al.
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Franzen S, Skalski B, Bartolotti L, Delley B
The coupling of tautomerization to hydration in the transition state on the pyrimidine photohydration reaction path
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Fronzi M, Piccinin S, Delley B, Traversa E, Stampfl C
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Gomes PRS, Huang P-H, Chamon C, Mudry C
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Heberle J, Deupi X, Schertler G
Retinal proteins - you can teach an old dog new tricks
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Iadecola T, Neupert T, Chamon C, Mudry C
Accessing topological order in fractionalized liquids with gapped edges
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Jayachandran R, Liu X, BoseDasgupta S, Müller P, Zhang C-L, Moshous D, et al.
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Komodziński K, Lepczyńska J, Gdaniec Z, Bartolotti L, Delley B, Franzen S, et al.
Photochemistry of 6-amino-2-azido, 2-amino-6-azido and 2,6-diazido analogues of purine ribonucleosides in aqueous solutions
Photochemical and Photobiological Sciences. 2014; 13(3): 563-573. https://doi.org/10.1039/c3pp50385b
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Kourtis S, Neupert T, Chamon C, Mudry C
Fractional Chern insulators with strong interactions that far exceed band gaps
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Manni S, Mineev KS, Usmanova D, Lyukmanova EN, Shulepko MA, Kirpichnikov MP, et al.
Structural and functional characterization of alternative transmembrane domain conformations in VEGF receptor 2 activation
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Mena M, Perry RS, Perring TG, Le MD, Guerrero S, Storni M, et al.
Spin-wave spectrum of the quantum ferromagnet on the pyrochlore lattice Lu₂V₂O₇
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Neupert T, Chamon C, Mudry C, Thomale R
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Obuse H, Ryu S, Furusaki A, Mudry C
Spin-directed network model for the surface states of weak three-dimensional Z₂ topological insulators
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Ostermaier MK, Peterhans C, Jaussi R, Deupi X, Standfuss J
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Plumb NC, Salluzzo M, Razzoli E, Månsson M, Falub M, Krempasky J, et al.
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Ryzhkov MV, Mirmelstein A, Delley B, Yu S-W, Chung BW, Tobin JG
The effects of mesoscale confinement in Pu clusters and isolated particles
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Staub U, De Souza RA, Beaud P, Möhr-Vorobeva E, Ingold G, Caviezel A, et al.
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Swayamjyoti S, Löffler JF, Derlet PM
Local structural excitations in model glasses
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Tiwari A, Chen X, Neupert T, Santos LH, Ryu S, Chamon C, et al.
Topological BF theory of the quantum hydrodynamics of incompressible polar fluids
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Vallés A, Derlet P, Crespo D, Pineda E
Molecular dynamics computation of the dynamical structure factor of a Lennard-Jones glass: propagation of acoustic modes at the nm-scale
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Vicario C, Ruchert C, Derlet PM, Shalaby M, Tudu B, Luning J, et al.
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Vicario C, Ruchert C, Ardana-Lamas F, Derlet PM, Tudu B, Luning J, et al.
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Yoo S-H, Lee J-H, Delley B, Soon A
Why does bromine square palladium off? An ab initio study of brominated palladium and its nanomorphology
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Arahata E, Neupert T, Sigrist M
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Biswas PK, Luetkens H, Neupert T, Stürzer T, Baines C, Pascua G, et al.
Evidence for superconductivity with broken time-reversal symmetry in locally noncentrosymmetric SrPtAs
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Brueckner F, Piscitelli CL, Tsai C-J, Standfuss J, Deupi X, Schertler GFX
Structure of β-Adrenergic receptors
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Derlet PM, Maaß R
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Derlet PM, Maaß R
Micro-plasticity and intermittent dislocation activity in a simplified micro-structural model
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Derlet PM, Maaß R
The role of disorder and the elastic robustness of bulk metallic glasses
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Farhan A, Derlet PM, Kleibert A, Balan A, Chopdekar RV, Wyss M, et al.
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Farhan A, Derlet PM, Kleibert A, Balan A, Chopdekar RV, Wyss M, et al.
Exploring hyper-cubic energy landscapes in thermally active finite artificial spin-ice systems
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García-Martínez NA, Grushin AG, Neupert T, Valenzuela B, Castro EV
Interaction-driven phases in the half-filled spinless honeycomb lattice from exact diagonalization
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Koziatek P, Barrat J-L, Derlet P, Rodney D
Inverse Meyer-Neldel behavior for activated processes in model glasses
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Le Guyader L, Kleibert A, Nolting F, Joly L, Derlet PM, Pisarev RV, et al.
Dynamics of laser-induced spin reorientation in Co/SmFeO₃ heterostructure
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Legner M, Neupert T
Relating the entanglement spectrum of noninteracting band insulators to their quantum geometry and topology
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Maaß R, Derlet PM, Greer JR
Small-scale plasticity: insights into dislocation avalanche velocities
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Neupert T, Chamon C, Mudry C
Measuring the quantum geometry of Bloch bands with current noise
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Olivella M, Gonzalez A, Pardo L, Deupi X
Relation between sequence and structure in membrane proteins
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Posternak M, Berner S, Baldereschi A, Delley B
Enhancing hydrophilicity of anatase TiO₂ surfaces by deposition of alkaline earths: the case of Ca
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Ryzhkov MV, Delley B
Electronic structure of predicted endohedral fullerenes An@C₄₀ (An = Th-Md)
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Singhal A, Ostermaier MK, Vishnivetskiy SA, Panneels V, Homan KT, Tesmer JJG, et al.
Insights into congenital stationary night blindness based on the structure of G90D rhodopsin
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Early transition metal dopants in cuprous oxide: to spin or not to spin
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Tracey DF, Delley B, McKenzie DR, Warschkow O
Molecular adsorption on silicon (001): a systematic evaluation of size effects in slab and cluster models
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Venkatakrishnan AJ, Deupi X, Lebon G, Tate CG, Schertler GF, Babu MM
Molecular signatures of G-protein-coupled receptors
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Zaharko O, Pregelj M, Zorko A, Podgajny R, Gukasov A, van Tol J, et al.
Source of magnetic anisotropy in quasi-two-dimensional XY {Cu₄(tetrenH₅)W(CN)₈]₄·7.2H₂O)}_n bilayer molecular magnet
Physical Review B. 2013; 87(2): 024406 (10 pp.). https://doi.org/10.1103/PhysRevB.87.024406
DORA PSI

d'Ambrumenil N, Morf RH
Thermopower in the quantum Hall regime
Physical Review Letters. 2013; 111(13): 136805 (4 pp.). https://doi.org/10.1103/PhysRevLett.111.136805
DORA PSI

Chamon C, Mudry C
Magnetic translation algebra with or without magnetic field in the continuum or on arbitrary Bravais lattices in any dimension
Physical Review B. 2012; 86(19): 195125 (10 pp.). https://doi.org/10.1103/PhysRevB.86.195125
DORA PSI

Chamon C, Hou C-Y, Mudry C, Ryu S, Santos L
Masses and Majorana fermions in graphene
Physica Scripta. 2012; 2012(T146): 014013 (7 pp.). https://doi.org/10.1088/0031-8949/2012/T146/014013
DORA PSI

Cui XY, Soon A, Phillips AE, Zheng RK, Liu ZW, Delley B, et al.
First principles study of 3d transition metal doped Cu₃N
Journal of Magnetism and Magnetic Materials. 2012; 324(19): 3138-3143. https://doi.org/10.1016/j.jmmm.2012.05.021
DORA PSI

Derlet PM
Landau-Heisenberg Hamiltonian model for FeRh
Physical Review B. 2012; 85(17): 174431 (15 pp.). https://doi.org/10.1103/PhysRevB.85.174431
DORA PSI

Derlet PM, Maaß R, Löffler JF
The Boson peak of model glass systems and its relation to atomic structure
European Physical Journal B: Condensed Matter and Complex Systems. 2012; 85(5): 148 (20 pp.). https://doi.org/10.1140/epjb/e2012-20902-0
DORA PSI

Deupi X, Standfuss J, Schertler G
Conserved activation pathways in G-protein-coupled receptors
Biochemical Society Transactions. 2012; 40(2): 383-388. https://doi.org/10.1042/BST20120001
DORA PSI

Deupi X, Li X-D, Schertler GFX
Ligands stabilize specific GPCR conformations: but how?
Structure. 2012; 20(8): 1289-1290. https://doi.org/10.1016/j.str.2012.07.009
DORA PSI

Deupi X
Quantification of structural distortions in the transmembrane helices of GPCRs
In: Vaidehi N, Klein-Seetharaman J, eds. Membrane protein structure and dynamics. Methods and protocols. Methods in molecular biology. Berlin: Springer; 2012:219-235. https://doi.org/10.1007/978-1-62703-023-6_13
DORA PSI

Deupi X, Edwards P, Singhal A, Nickle B, Oprian D, Schertler G, et al.
Stabilized G protein binding site in the structure of constitutively active metarhodopsin-II
Proceedings of the National Academy of Sciences of the United States of America PNAS. 2012; 109(1): 119-124. https://doi.org/10.1073/pnas.1114089108
DORA PSI

Franzen S, Brown D, Gaff J, Delley B
A resonance Raman enhancement mechanism for axial vibrational modes in the pyridine adduct of myoglobin proximal cavity mutant (H93G)
Journal of Physical Chemistry B. 2012; 116(35): 10514-10521. https://doi.org/10.1021/jp302049p
DORA PSI

Fulcher BD, Cui XY, Delley B, Stampfl C
Hardness analysis of cubic metal mononitrides from first principles
Physical Review B. 2012; 85(18): 184106 (9 pp.). https://doi.org/10.1103/PhysRevB.85.184106
DORA PSI

Grimmer H, Delley B
Density functional calculations of polysynthetic Brazil twinning in α-quartz
Acta Crystallographica Section A: Foundations and Advances. 2012; 68(3): 359-365. https://doi.org/10.1107/S0108767312008756
DORA PSI

Grushin AG, Neupert T, Chamon C, Mudry C
Enhancing the stability of a fractional Chern insulator against competing phases
Physical Review B. 2012; 86(20): 205125 (10 pp.). https://doi.org/10.1103/PhysRevB.86.205125
DORA PSI

Hu Y, Borca CN, Kleymenov E, Nachtegaal M, Delley B, Janousch M, et al.
Experimental and ab initio investigations of the X-ray absorption near edge structure of orthorhombic LuMnO₃
Applied Physics Letters. 2012; 100(25): 252901 (4 pp.). https://doi.org/10.1063/1.4729002
DORA PSI

Idhil A, Borca CN, Uldry A-C, Zema N, Turchini S, Catone D, et al.
The influence of Cr-composition on the local magnetic structure of FeCr alloys
Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms. 2012; 284: 1-5. https://doi.org/10.1016/j.nimb.2011.08.071
DORA PSI

Landolt G, Eremeev SV, Koroteev YM, Slomski B, Muff S, Neupert T, et al.
Disentanglement of surface and bulk rashba spin splittings in noncentrosymmetric BiTeI
Physical Review Letters. 2012; 109(11): 116403 (5 pp.). https://doi.org/10.1103/PhysRevLett.109.116403
DORA PSI

Lee T, Delley B, Stampfl C, Soon A
Environment-dependent nanomorphology of TiN: the influence of surface vacancies
Nanoscale. 2012; 4(16): 5183-5188. https://doi.org/10.1039/c2nr31266b
DORA PSI

Maaß R, Klaumünzer D, Villard G, Derlet PM, Löffler JF
Shear-band arrest and stress overshoots during inhomogeneous flow in a metallic glass
Applied Physics Letters. 2012; 100(7): 071904 (4 pp.). https://doi.org/10.1063/1.3684871
DORA PSI

Maaß R, Klaumünzer D, Preiß EI, Derlet PM, Löffler JF
Single shear-band plasticity in a bulk metallic glass at cryogenic temperatures
Scripta Materialia. 2012; 66(5): 231-234. https://doi.org/10.1016/j.scriptamat.2011.10.044
DORA PSI

Neupert T, Santos L, Chamon C, Mudry C
Elementary formula for the Hall conductivity of interacting systems
Physical Review B. 2012; 86(16): 165133 (7 pp.). https://doi.org/10.1103/PhysRevB.86.165133
DORA PSI

Neupert T, Santos L, Ryu S, Chamon C, Mudry C
Noncommutative geometry for three-dimensional topological insulators
Physical Review B. 2012; 86(3): 035125 (33 pp.). https://doi.org/10.1103/PhysRevB.86.035125
DORA PSI

Neupert T, Santos L, Ryu S, Chamon C, Mudry C
Topological Hubbard model and its high-temperature quantum Hall effect
Physical Review Letters. 2012; 108(4): 046806 (5 pp.). https://doi.org/10.1103/PhysRevLett.108.046806
DORA PSI

Pregelj M, Zaharko O, Günther A, Loidl A, Tsurkan V, Guerrero S
Magnetic ground state and two-dimensional behavior in pseudo-kagome layered system Cu₃Bi(SeO₃)₂O₂Br
Physical Review B. 2012; 86(14): 144409 (7 pp.). https://doi.org/10.1103/PhysRevB.86.144409
DORA PSI

Rahmeh R, Damian M, Cottet M, Orcel H, Mendre C, Durroux T, et al.
Structural insights into biased G protein-coupled receptor signaling revealed by fluorescence spectroscopy
Proceedings of the National Academy of Sciences of the United States of America PNAS. 2012; 109(17): 6733-6738. https://doi.org/10.1073/pnas.1201093109
DORA PSI

Razzoli E, Kobayashi M, Strocov VN, Delley B, Bukowski Z, Karpinski J, et al.
Bulk electronic structure of superconducting LaRu₂P₂ single crystals measured by soft-X-ray angle-resolved photoemission spectroscopy
Physical Review Letters. 2012; 108(25): 257005 (5 pp.). https://doi.org/10.1103/PhysRevLett.108.257005
DORA PSI

Ryu S, Mudry C, Ludwig AWW, Furusaki A
Global phase diagram of two-dimensional Dirac fermions in random potentials
Physical Review B. 2012; 85(23): 235115 (25 pp.). https://doi.org/10.1103/PhysRevB.85.235115
DORA PSI

Ryzhkov MV, Ivanovskii AL, Delley B
Electronic structure of endohedral fullerenes An@C₂₈ (An = Th - Md)
Computational and Theoretical Chemistry. 2012; 985: 46-52. https://doi.org/10.1016/j.comptc.2012.01.037
DORA PSI

Ryzhkov MV, Delley B
Geometry, electronic structure, and magnetic ordering of iron-carbon nanoparticles
Theoretical Chemistry Accounts. 2012; 131(3): 1144 (18 pp.). https://doi.org/10.1007/s00214-012-1144-8
DORA PSI

Ryzhkov MV, Delley B
Spatial structure and stability of Mo_nSi_m nanoparticles
Journal of Structural Chemistry. 2012; 53(2): 209-214. https://doi.org/10.1134/S0022476612020011
DORA PSI

Uldry A, Vernay F, Delley B
Systematic computation of crystal-field multiplets for x-ray core spectroscopies
Physical Review B. 2012; 85(12): 125133 (14 pp.). https://doi.org/10.1103/PhysRevB.85.125133
DORA PSI

Weston L, Cui XY, Delley B, Stampfl C
Band offsets and polarization effects in wurtzite ZnO/Mg_0.25Zn_0.75O superlattices from first principles
Physical Review B. 2012; 86(20): 205322 (9 pp.). https://doi.org/10.1103/PhysRevB.86.205322
DORA PSI

Zhang R-Q, Kim C-E, Delley B, Stampfl C, Soon A
A first-principles study of ultrathin nanofilms of MgO-supported TiN
Physical Chemistry Chemical Physics. 2012; 14(7): 2462-2467. https://doi.org/10.1039/c2cp23534j
DORA PSI

Atanasov M, Delley B, Neese F, Tregenna-Piggott PL, Sigrist M
Theoretical insights into the magnetostructural correlations in Mn₃-based single-molecule magnets
Inorganic Chemistry. 2011; 50(6): 2112-2124. https://doi.org/10.1021/ic1023482
DORA PSI

Brandl C, Derlet PM, Van Swygenhoven H
Dislocation mediated plasticity in nanocrystalline Al: the strongest size
Modelling and Simulation in Materials Science and Engineering. 2011; 19(7): 74005 (11 pp.). https://doi.org/10.1088/0965-0393/19/7/074005
DORA PSI

Bruska MK, Czekaj I, Delley B, Mantzaras J, Wokaun A
Electronic structure and oxygen vacancies in PdO and ZnO: Validation of DFT models
Physical Chemistry Chemical Physics. 2011; 13(35): 15947-15954. https://doi.org/10.1039/c1cp20923j
DORA PSI

Chiesa S, Derlet PM, Dudarev SL, Van Swygenhoven H
Optimization of the magnetic potential for α-Fe
Journal of Physics: Condensed Matter. 2011; 23(20): 206001 (14 pp.). https://doi.org/10.1088/0953-8984/23/20/206001
DORA PSI

Cui XY, Zheng RK, Liu ZW, Li L, Delley B, Stampfl C, et al.
Magic numbers of nanoholes in graphene: Tunable magnetism and semiconductivity
Physical Review B. 2011; 84(12): 125410 (7 pp.). https://doi.org/10.1103/PhysRevB.84.125410
DORA PSI

D'Ambrumenil N, Halperin BI, Morf RH
Model for dissipative conductance in fractional quantum Hall states
Physical Review Letters. 2011; 106(12): 126804 (4 pp.). https://doi.org/10.1103/PhysRevLett.106.126804
DORA PSI

Derlet PM, Gilbert MR, Dudarev SL
Simulating dislocation loop internal dynamics and collective diffusion using stochastic differential equations
Physical Review B. 2011; 84(13): 134109 (13 pp.). https://doi.org/10.1103/PhysRevB.84.134109
DORA PSI

Derlet PM, Maaß R
Thermal-activation model for freezing and the elastic robustness of bulk metallic glasses
Physical Review B. 2011; 84(22): R220201 (4 pp.). https://doi.org/10.1103/PhysRevB.84.220201
DORA PSI

Deupi X, Standfuss J
Structural insights into agonist-induced activation of G-protein-coupled receptors
Current Opinion in Structural Biology. 2011; 21(4): 541-551. https://doi.org/10.1016/j.sbi.2011.06.002
DORA PSI

González A, Perez-Acle T, Pardo L, Deupi X
Molecular basis of ligand dissociation in β-adrenergic receptors
PLoS One. 2011; 6(9): e23815 (9 pp.). https://doi.org/10.1371/journal.pone.0023815
DORA PSI

Idhil A, Borca CN, Uldry A-C, Victoria M, Samaras M
Investigating the structure of iron-chromium alloys using synchrotron based X-ray microanalysis
Journal of Nuclear Materials. 2011; 416(1-2): 65-69. https://doi.org/10.1016/j.jnucmat.2010.11.097
DORA PSI

Neupert T, Sigrist M
Coexistence of ferromagnetism and superconductivity in noncentrosymmetric materials with cubic symmetry
Journal of the Physical Society of Japan. 2011; 80(11): 114712 (5 pp.). https://doi.org/10.1143/JPSJ.80.114712
DORA PSI

Neupert T, Santos L, Chamon C, Mudry C
Fractional quantum Hall states at zero magnetic field
Physical Review Letters. 2011; 106(23): 236804 (4 pp.). https://doi.org/10.1103/PhysRevLett.106.236804
DORA PSI

Neupert T, Santos L, Ryu S, Chamon C, Mudry C
Fractional topological liquids with time-reversal symmetry and their lattice realization
Physical Review B. 2011; 84(16): 165107 (13 pp.). https://doi.org/10.1103/PhysRevB.84.165107
DORA PSI

Pauli SA, Leake SJ, Delley B, Björck M, Schneider CW, Schlepütz CM, et al.
Evolution of the interfacial structure of LaAlO₃ on SrTiO₃
Physical Review Letters. 2011; 106(3): 036101 (4 pp.). https://doi.org/10.1103/PhysRevLett.106.036101
DORA PSI

Sansuk K, Deupi X, Torrecillas IR, Jongejan A, Nijmeijer S, Bakker RA, et al.
A structural insight into the reorientation of transmembrane domains 3 and 5 during family A G protein-coupled receptor activation
Molecular Pharmacology. 2011; 79(2): 262-269. https://doi.org/10.1124/mol.110.066068
DORA PSI

Santos L, Nishida Y, Chamon C, Mudry C
Counting Majorana zero modes in superconductors
Physical Review B. 2011; 83(10): 104522 (19pp.). https://doi.org/10.1103/PhysRevB.83.104522
DORA PSI

Santos L, Neupert T, Ryu S, Chamon C, Mudry C
Time-reversal symmetric hierarchy of fractional incompressible liquids
Physical Review B. 2011; 84(16): 1-11. https://doi.org/10.1103/PhysRevB.84.165138
DORA PSI

Sassa Y, Radović M, Månsson M, Razzoli E, Cui XY, Pailhès S, et al.
Ortho-II band folding in YBa₂Cu₃O_7-δ films revealed by angle-resolved photoemission
Physical Review B. 2011; 83(14): 140511 (4 pp.). https://doi.org/10.1103/PhysRevB.83.140511
DORA PSI

Scilletta C, Castrucci P, Del Gobbo S, Scarselli M, Camilli L, Simeoni M, et al.
Light harvesting with multiwall carbon nanotube/silicon heterojunctions
Nanotechnology. 2011; 22(11): 115701 (8 pp.). https://doi.org/10.1088/0957-4484/22/11/115701
DORA PSI

Shieh CC, Cui XY, Delley B, Stampfl C
Built-in electric fields and valence band offsets in InN/GaN(0001) superlattices: First-principles investigations
Journal of Applied Physics. 2011; 109(8): 1-8. https://doi.org/10.1063/1.3573499
DORA PSI

Storni M, Morf RH
Localized quasiholes and the Majorana fermion in fractional quantum Hall state at ν = ⁵/₂ via direct diagonalization
Physical Review B. 2011; 83(19): 195306 (9 pp.). https://doi.org/10.1103/PhysRevB.83.195306
DORA PSI

Suzuki H, Delley B, Satoko C
DFT study on magnetic interaction in an orbitally degenerate Ti³⁺ dimer complex
Journal of Physics: Condensed Matter. 2011; 23(37): 1-11. https://doi.org/10.1088/0953-8984/23/37/375502
DORA PSI

Todorova T, Peitz D, Kröcher O, Wokaun A, Delley B
Guanidinium formate decomposition on the (101) TiO₂-anatase surface: combined minimum energy reaction pathway calculations and temperature-programmed decomposition experiments
Journal of Physical Chemistry C. 2011; 115(4): 1195-1203. https://doi.org/10.1021/jp106523b
DORA PSI

Viitala M, Cramariuc O, Delley B, Rantala TT
Conformation and energetics of benzene adsorbate on SnO₂(110) surfaces: A first principles study
Surface Science. 2011; 605(15-16): 1563-1567. https://doi.org/10.1016/j.susc.2011.05.029
DORA PSI

Warschkow O, Chuasiripattana K, Lyle MJ, Delley B, Stampfl C
Cu/ZnO(0001) under oxidating and reducing conditions: A first-principles survey of surface structures
Physical Review B. 2011; 84(12): 125311-125325. https://doi.org/10.1103/PhysRevB.84.125311
DORA PSI

Aeberhard U, Morf R
Photovoltaic effects in quantum confined systems: microscopic theory and numerical simulation
In: Badescu V, Paulescu M, eds. Physics of nanostructured solar cells. New York: Nova Science Publishers; 2010:93-130.
DORA PSI

Atanasov M, Delley B, Reinen D
A DFT study of the energetical and structural landscape of the tetrahedral to square-planar conversion of tetrahalide complexes of copper(II)
Zeitschrift für Anorganische und Allgemeine Chemie. 2010; 636(9-10): 1740-1750. https://doi.org/10.1002/zaac.201000089
DORA PSI

Brandl C, Tiwari S, Derlet PM, Van Swygenhoven H
Athermal critical stresses for dislocation propagation in nanocrystalline aluminium
Philosophical Magazine. 2010; 90(7-8): 977-989. https://doi.org/10.1080/14786430903124444
DORA PSI

Chuasiripattana K, Warschkow O, Delley B, Stampfl C
Reaction intermediates of methanol synthesis and the water-gas-shift reaction on the ZnO(0001) surface
Surface Science. 2010; 604(19-20): 1742-1751. https://doi.org/10.1016/j.susc.2010.06.025
DORA PSI

Cui XY, Delley B, Stampfl C
Band gap engineering of wurtzite and zinc-blende GaN/AlN superlattices from first principles
Journal of Applied Physics. 2010; 108(10): 103701 (10 pp.). https://doi.org/10.1063/1.3505752
DORA PSI

Cui XY, Carter DJ, Fuchs M, Delley B, Wei SH, Freeman AJ, et al.
Continuously tunable band gap in GaN/AlN (0001) superlattices via built-in electric field
Physical Review B. 2010; 81(15): 155301 (5 pp.). https://doi.org/10.1103/PhysRevB.81.155301
DORA PSI

Cui XY, Delley B, Freeman AJ, Stampfl C
Tunnel magnetoresistance in trilayer junctions from first principles: Cr δ -layer doped GaN/AlN/GaN (0 0 0 1)
Journal of Magnetism and Magnetic Materials. 2010; 322(4): 395-399. https://doi.org/10.1016/j.jmmm.2009.09.060
DORA PSI

Delley B
Time dependent density functional theory with DMol³
Journal of Physics: Condensed Matter. 2010; 22(38): 384208 (6 pp.). https://doi.org/10.1088/0953-8984/22/38/384208
DORA PSI

Derlet PM, Maass R, Loeffler JF
The bribrational properties of model bulk metallic glasses
In: Vol. 1224. Materials research society symposium - proceedings. ; 2010:GG-05-1.
DORA PSI

Derlet PM, Maass R, Löffler JF
The vibrational modes of model bulk metallic glasses
In: Mechanical behavior at small scales--experiments and modeling. Vol. 1224. Materials research society symposium proceedings. Warrendale: Materials Research Society; 2010:155-161.
DORA PSI

Deupi X, Kobilka BK
Energy landscapes as a tool to integrate GPCR structure, dynamics, and function
Physiology. 2010; 25(5): 293-303. https://doi.org/10.1152/physiol.00002.2010
DORA PSI

Duan X, Warschkow O, Soon A, Delley B, Stampfl C
Density functional study of oxygen on Cu(100) and Cu(110) surfaces
Physical Review B. 2010; 81(7): 075430 (15 pp.). https://doi.org/10.1103/PhysRevB.81.075430
DORA PSI

Dudarev SL, Gilbert MR, Arakawa K, Mori H, Yao Z, Jenkins ML, et al.
Langevin model for real-time Brownian dynamics of interacting nanodefects in irradiated metals
Physical Review B. 2010; 81(22): 224107 (15 pp.). https://doi.org/10.1103/PhysRevB.81.224107
DORA PSI

Gaff JF, Franzen S, Delley B
Ab initio calculation of resonance Raman cross sections based on excited state geometry optimization
Journal of Physical Chemistry A. 2010; 114(43): 11681-11690. https://doi.org/10.1021/jp103321x
DORA PSI

Hou C-Y, Chamon C, Mudry C
Deconfined fractional electric charges in graphene at high magnetic fields
Physical Review B. 2010; 81(7): 075427 (11 pp.). https://doi.org/10.1103/PhysRevB.81.075427
DORA PSI

Lyle MJ, Warschkow O, Delley B, Stampfl C
Coverage and charge-state dependent adsorption of carbon monoxide on the zinc oxide (0001) surface
Physical Review B. 2010; 82(16): 165401 (9 pp.). https://doi.org/10.1103/PhysRevB.82.165401
DORA PSI

Neupert T, Onoda S, Furusaki A
Chain of Majorana states from superconducting Dirac fermions at a magnetic domain wall
Physical Review Letters. 2010; 105(20): 206404 (4 pp.). https://doi.org/10.1103/PhysRevLett.105.206404
DORA PSI

Nuebler J, Umansky V, Morf R, Heiblum M, von Klitzing K, Smet J
Density dependence of the ν=⁵/₂ energy gap: experiment and theory
Physical Review B. 2010; 81(3): 035316 (7 pp.). https://doi.org/10.1103/PhysRevB.81.035316
DORA PSI

Ryu S, Mudry C, Ludwig AWW, Furusaki A
High-gradient operators in perturbed Wess-Zumino-Witten field theories in two dimensions
Nuclear Physics B. 2010; 839(3): 341-376. https://doi.org/10.1016/j.nuclphysb.2010.04.012
DORA PSI

Ryu S, Mudry C, Obuse H, Furusaki A
The ℤ₂ network model for the quantum spin Hall effect: two-dimensional Dirac fermions, topological quantum numbers and corner multifractality
New Journal of Physics. 2010; 12(6): 065005 (30 pp.). https://doi.org/10.1088/1367-2630/12/6/065005
DORA PSI

Santos L, Neupert T, Chamon C, Mudry C
Superconductivity on the surface of topological insulators and in two-dimensional noncentrosymmetric materials
Physical Review B. 2010; 81(18): 184502 (23 pp.). https://doi.org/10.1103/PhysRevB.81.184502
DORA PSI

Santos L, Ryu S, Chamon C, Mudry C
Topological qubits in graphenelike systems
Physical Review B. 2010; 82(16): 165101 (5 pp.). https://doi.org/10.1103/PhysRevB.82.165101
DORA PSI

Schaniel D, Mockus N, Woike T, Klein A, Sheptyakov D, Todorova T, et al.
Reversible photoswitching between nitrito-N and nitrito-O isomers in trans-[Ru(py)₄(NO₂)₂]
Physical Chemistry Chemical Physics. 2010; 12(23): 6171-6178. https://doi.org/10.1039/b921723a
DORA PSI