Publications

2024

  • 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
  • Viljanen M, Appel C, Larsson E, Prajapati A, Fernandez Bordín SP, Asimakopoulou EM, et al.
    Zooming into hierarchical materials by combined microtomographic and scattering-based imaging
    Synchrotron Radiation News. 2024. https://doi.org/10.1080/08940886.2024.2414720
    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
  • Bertrand Q, Nogly P, Nango E, Kekilli D, Khusainov G, Furrer A, et al.
    Structural effects of high laser power densities on an early bacteriorhodopsin photocycle intermediate
    Nature Communications. 2024; 15: 10278 (11 pp.). https://doi.org/10.1038/s41467-024-54422-8
    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
  • 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
  • Blum V, Asahi R, Autschbach J, Bannwarth C, Bihlmayer G, Blügel S, et al.
    Roadmap on methods and software for electronic structure based simulations in chemistry and materials
    Electronic Structure. 2024; 6(4): 042501 (60 pp.). https://doi.org/10.1088/2516-1075/ad48ec
    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
  • Jiménez-Carrascosa A, Mikityuk K, Stauff N, Karahan A, Fridman E, Ponomarev A
    Core design and neutronic analysis of the European sodium fast reactor with metallic fuel
    In: Proceedings of the 2024 31st international conference on nuclear engineering (ICONE31). SMRs, advanced reactors, and fusion. Vol. 4. Danvers, MA: American Society of Mechanical Engineers (ASME); 2024:133069 (8 pp.). https://doi.org/10.1115/ICONE31-133069
    DORA PSI
  • Sabol J, Křepel J
    Effect of neutron leakage on equilibrium U-Pu and Th-U cycles for 16 selected reactors
    In: Proceedings of the 2024 31st international conference on nuclear engineering (ICONE31). Student paper competition. Vol. 11. Danvers, MA: American Society of Mechanical Engineers (ASME); 2024:136237 (10 pp.). https://doi.org/10.1115/ICONE31-136237
    DORA PSI
  • Křepel J, Borys F, Sabol J, Losa E
    Comparison of EQL0D v2 and v4 Procedures by means of equilibrium U-Pu and Th-U cycles in 16 selected reactors
    In: International conference on nuclear engineering. Vol. 2. Proceedings of 2024 31st international conference on nuclear engineering, ICONE 2024. New York City: American Society of Mechanical Engineers (ASME); 2024:v002t02a056 (9 pp.). https://doi.org/10.1115/ICONE31-136218
    DORA PSI
  • Katheras AS, Karalis K, Krack M, Scheinost AC, Churakov SV
    Computational study on the octahedral surfaces of magnetite nanoparticles and their solvent interaction
    Environmental Science and Technology. 2024; 58(31): 20575-20587. https://doi.org/10.1021/acs.est.4c06531
    DORA PSI
  • Sabol J, Borys F, Křepel J
    Effect of fission products on equilibrium U-Pu and Th-U cycles for 16 selected reactors
    In: International conference on nuclear engineering. Vol. 2. Proceedings of 2024 31st international conference on nuclear engineering, ICONE 2024. New York City: American Society of Mechanical Engineers (ASME); 2024:v002t02a057 (10 pp.). https://doi.org/10.1115/ICONE31-136232
    DORA PSI
  • Cukrov A, Landek D, Sato Y, Boras I, Ničeno B
    Numerical simulation of film boiling heat transfer in immersion quenching process using Eulerian two-fluid approach
    Case Studies in Thermal Engineering. 2024; 64: 105497 (15 pp.). https://doi.org/10.1016/j.csite.2024.105497
    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
  • Albà A, Adelmann A, Rochman D
    Uncertainty quantification on spent nuclear fuel with LMC
    In: Suyama K, Gunji S, Watanabe T, Araki S, Fukuda K, Shimada K, et al., eds. Proceedings of the 12th international conference on nuclear criticality safety. Japan Atomic Energy Agency; 2024:1-10.
    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
  • Freudenstein J, Ito S, Schüler M, Meierhofer M, Schlauderer S, Reimann J, et al.
    Subcycle formation of Floquet-Bloch bands
    In: 2024 49th international conference on Infrared, millimeter, and terahertz waves IRMMW-THz 2024. International conference on infrared and millimeter waves. IEEE Computer Society; 2024. https://doi.org/10.1109/IRMMW-THz60956.2024.10697707
    DORA PSI
  • Adam W, Bergauer T, Damanakis K, Dragicevic M, Frühwirth R, Steininger H, et al.
    Measurement of the fractional radiation length of a pixel module for the CMS Phase-2 upgrade via the multiple scattering of positrons
    Journal of Instrumentation. 2024; 19(10): P10023 (41 pp.). https://doi.org/10.1088/1748-0221/19/10/P10023
    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
  • 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
  • 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
  • Vogler M, Steensen SK, Ramírez FF, Merker L, Busk J, Carlsson JM, et al.
    Autonomous battery optimization by deploying distributed experiments and simulations
    Advanced Energy Materials. 2024: 2403263 (13 pp.). https://doi.org/10.1002/aenm.202403263
    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
  • 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
  • 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
  • Gao Z, Appel C, Holler M, Jeschonek K, Brunnengräber K, Etzold BJM, et al.
    Dynamic sparse x-ray nanotomography reveals ionomer hydration mechanism in polymer electrolyte fuel-cell catalyst
    Science Advances. 2024; 10(41): eadp3346 (14 pp.). https://doi.org/10.1126/sciadv.adp3346
    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
  • Yen Y, Krieger JA, Yao M, Robredo I, Manna K, Yang Q, et al.
    Controllable orbital angular momentum monopoles in chiral topological semimetals
    Nature Physics. 2024. https://doi.org/10.1038/s41567-024-02655-1
    DORA PSI
  • Scuro NL, Beneš O, Lorenzi S, Krstovic M, Krepel J, Piro MHA
    Coupled computational fluid dynamics and computational thermodynamics simulations for fission product retention and release: a molten salt fast reactor application
    Progress in Nuclear Energy. 2024; 177: 105450 (19 pp.). https://doi.org/10.1016/j.pnucene.2024.105450
    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
  • 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
  • Sciora P, Pantano A, Fridman E, Ponomarev A, Servell P, Gérardin D, et al.
    ESFR-SIMPLE project: towards a ESFR-SMR design
    In: Proceedings of the 2024 international congress on advances in nuclear power plants (ICAPP 2024). American Nuclear Society; 2024:216-225. https://doi.org/10.13182/T130-44216
    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
  • Kittel C, Sarracini A, Augustin S, Yang N, Al Haddad A, Ferrari E, et al.
    Demonstration of full polarization control of soft X-ray pulses with Apple X undulators at SwissFEL using recoil ion momentum spectroscopy
    Journal of Synchrotron Radiation. 2024; 31(Pt 5): 1134-1145. https://doi.org/10.1107/S1600577524006325
    DORA PSI
  • Pazhedath A, Bastonero L, Marzari N, Simoncelli M
    First-principles characterization of thermal conductivity in LaPO4 -based alloys
    Physical Review Applied. 2024; 22(2): 024064 (21 pp.). https://doi.org/10.1103/PhysRevApplied.22.024064
    DORA PSI
  • Du D, Baird TJ, Eimre K, Bonella S, Pizzi G
    Jupyter widgets and extensions for education and research in computational physics and chemistry
    Computer Physics Communications. 2024; 305: 109353 (11 pp.). https://doi.org/10.1016/j.cpc.2024.109353
    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
  • Lautizi G, Studer A, Zdora MC, De Marco F, Kim J, Di Trapani V, et al.
    Universal reconstruction method for x-ray scattering tensor tomography based on wavefront modulation
    Physical Review Applied. 2024; 22(2): 024031 (7 pp.). https://doi.org/10.1103/PhysRevApplied.22.024031
    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
  • 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
  • Liu X, Erbas B, Conde-Rubio A, Rivano N, Wang Z, Jiang J, et al.
    Deterministic grayscale nanotopography to engineer mobilities in strained MoS2 FETs
    Nature Communications. 2024; 15(1): 6934 (12 pp.). https://doi.org/10.1038/s41467-024-51165-4
    DORA PSI
  • Hadžiabdić M, Hodža A, Ničeno B
    Turbulent heat flux modelling by using elliptic-blending k-ε-ζ-f RANS model
    In: Shams A, Al-Athel K, Tiselj I, Pautz A, Kwiatkowski T, eds. Challenges and recent advancements in nuclear energy systems. Proceedings of Saudi international conference on nuclear power engineering (SCOPE). Lecture Notes in Mechanical Engineering (LNME). Cham: Springer Nature; 2024:391-401. https://doi.org/10.1007/978-3-031-64362-0_37
    DORA PSI
  • Andreev V, Arratia M, Baghdasaryan A, Baty A, Begzsuren K, Bolz A, et al.
    Measurement of the 1-jettiness event shape observable in deep-inelastic electron-proton scattering at HERA
    European Physical Journal C: Particles and Fields. 2024; 84(8): 785 (42 pp.). https://doi.org/10.1140/epjc/s10052-024-13115-8
    DORA PSI
  • Gasparotto P, Barba L, Stadler HC, Assmann G, Mendonça H, Ashton AW, et al.
    TORO Indexer: a PyTorch-based indexing algorithm for kilohertz serial crystallography
    Journal of Applied Crystallography. 2024; 57(4): 931-944. https://doi.org/10.1107/S1600576724003182
    DORA PSI
  • Carlsen M, Appel C, Hearn W, Olsson M, Menzel A, Liebi M
    X-ray tensor tomography for small-grained polycrystals with strong texture
    Journal of Applied Crystallography. 2024; 57(Pt 4): 986-1000. https://doi.org/10.1107/S1600576724004588
    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
  • Ferretti A, Chiarotti T, Marzari N
    Green's function embedding using sum-over-pole representations
    Physical Review B. 2024; 110(4): 045149 (11 pp.). https://doi.org/10.1103/PhysRevB.110.045149
    DORA PSI
  • Bois G, Fillion P, François F, Burlot A, Ben Hadj Ali A, Khaware A, et al.
    Benchmark DEBORA: assessment of MCFD compared to high-pressure boiling pipe flow measurements
    International Journal of Multiphase Flow. 2024; 179: 104920 (31 pp.). https://doi.org/10.1016/j.ijmultiphaseflow.2024.104920
    DORA PSI
  • Chiarotti T, Ferretti A, Marzari N
    Energies and spectra of solids from the algorithmic inversion of dynamical Hubbard functionals
    Physical Review Research. 2024; 6(3): L032023 (7 pp.). https://doi.org/10.1103/PhysRevResearch.6.L032023
    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
  • 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
  • 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
  • Sharma K, Silva Barreto I, Dejea H, Hammerman M, Appel C, Geraki K, et al.
    Elemental and structural characterization of heterotopic ossification during Achilles tendon healing provides new insights on the formation process
    ACS Biomaterials Science & Engineering. 2024; 10(8): 4938-4946. https://doi.org/10.1021/acsbiomaterials.4c00935
    DORA PSI
  • Andreev V, Arratia M, Baghdasaryan A, Baty A, Begzsuren K, Bolz A, et al.
    Observation and differential cross section measurement of neutral current DIS events with an empty hemisphere in the Breit frame
    European Physical Journal C: Particles and Fields. 2024; 84(7): 720 (11 pp.). https://doi.org/10.1140/epjc/s10052-024-13003-1
    DORA PSI
  • Marrazzo A, Colonna N
    Spin-dependent interactions in orbital-density-dependent functionals: noncollinear Koopmans spectral functionals
    Physical Review Research. 2024; 6(3): 033085 (18 pp.). https://doi.org/10.1103/PhysRevResearch.6.033085
    DORA PSI
  • Gotthard G, Mous S, Weinert T, Maia RNA, James D, Dworkowski F, et al.
    Capturing the blue-light activated state of the Phot-LOV1 domain from Chlamydomonas reinhardtii using time-resolved serial synchrotron crystallography
    IUCrJ. 2024; 11(5): (17 pp.). https://doi.org/10.1107/S2052252524005608
    DORA PSI
  • Burgess AC, Linscott E, O'Regan DD
    Tilted-plane structure of the energy of finite quantum systems
    Physical Review Letters. 2024; 133(2): 026404 (6 pp.). https://doi.org/10.1103/PhysRevLett.133.026404
    DORA PSI
  • Ponet L, Di Lucente E, Marzari N
    The energy landscape of magnetic materials
    npj Computational Materials. 2024; 10(1): 151 (7 pp.). https://doi.org/10.1038/s41524-024-01310-w
    DORA PSI
  • Evans ML, Bergsma J, Merkys A, Andersen CW, Andersson OB, Beltrán D, et al.
    Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange
    Digital Discovery. 2024; 3(8): 1509-1533. https://doi.org/10.1039/d4dd00039k
    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
  • 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
  • Koka T, Tsakiris MC, Muma M, Béjar Haro B
    Shuffled multi-channel sparse signal recovery
    Signal Processing. 2024; 224: 109579 (14 pp.). https://doi.org/10.1016/j.sigpro.2024.109579
    DORA PSI
  • Beaulieu S, Dong S, Christiansson V, Werner P, Pincelli T, Ziegler JD, et al.
    Berry curvature signatures in chiroptical excitonic transitions
    Science Advances. 2024; 10(26): eadk3897 (9 pp.). https://doi.org/10.1126/sciadv.adk3897
    DORA PSI
  • Qin L, Cheng Q, Mantzaras J, Law CK, Sui R
    Surface-gas chemistry coupling and stability limits of hydrogen/air combustion in catalytic microchannels
    Proceedings of the Combustion Institute. 2024; 40(1-4): 105229 (7 pp.). https://doi.org/10.1016/j.proci.2024.105229
    DORA PSI
  • Zhang F, Han D, Mantzaras J, Law CK, Sui R
    Surface kinetics and pressure dependence of propane oxidation over platinum
    Proceedings of the Combustion Institute. 2024; 40(1-4): 105228 (8 pp.). https://doi.org/10.1016/j.proci.2024.105228
    DORA PSI
  • Rivano N, Marzari N, Sohier T
    Density functional perturbation theory for one-dimensional systems: Implementation and relevance for phonons and electron-phonon interactions
    Physical Review B. 2024; 109(24): 245426 (13 pp.). https://doi.org/10.1103/PhysRevB.109.245426
    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
  • Arumugam VK, Mantzaras J, Gantenbein A, Doll U, Schildhauer T
    Experimental and numerical investigation of high-pressure methane catalytic synthesis from H2 and CO2
    Proceedings of the Combustion Institute. 2024; 40(1-4): 105206 (7 pp.). https://doi.org/10.1016/j.proci.2024.105206
    DORA PSI
  • Cignarella C, Campi D, Marzari N
    Searching for the thinnest metallic wire
    ACS Nano. 2024; 18(25): 16101-16112. https://doi.org/10.1021/acsnano.3c12802
    DORA PSI
  • Kampili M, Kelm S, Dehbi A, Liu X, Allelein HJ
    CFD simulations of natural convection particle-laden flow with CRW turbulent dispersion model employing the specialized solver containmentFOAM
    Advanced Powder Technology. 2024; 35(6): 104502 (15 pp.). https://doi.org/10.1016/j.apt.2024.104502
    DORA PSI
  • Muralikrishnan S, Frey M, Vinciguerra A, Ligotino M, Cerfon AJ, Stoyanov M, et al.
    Scaling and performance portability of the particle-in-cell scheme for plasma physics applications through mini-apps targeting exascale architectures
    In: Bader M, Dubey A, Lusch B, eds. SIAM conference on parallel processing for scientific computing. 2024 SIAM conference on parallel processing for scientific computing, PP 2024. Philadelphia: Society for Industrial and Applied Mathematics Publications; 2024:26-38.
    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
  • Tsujino S, Sato Y, Jia S, Kepa MW, Trampari S, Tomizaki T
    Inertial mixing of acoustically levitated droplets for time-lapse protein crystallography
    Droplet. 2024; 3(3): e132 (11 PP.). https://doi.org/10.1002/dro2.132
    DORA PSI
  • Katzbaer RR, Gelin S, Theibault MJ, Khan MM, Chandler C, Colonna N, et al.
    Data-intensive exploration of the photoelectrochemical responses of main-group metal sulfides
    Journal of Physical Chemistry C. 2024; 128(22): 8874-8882. https://doi.org/10.1021/acs.jpcc.4c00341
    DORA PSI
  • Ingall JE, Linscott E, Colonna N, Page AJ, Keast VJ
    Accurate and efficient computation of the fundamental bandgap of the vacancy-ordered double perovskite Cs2TiBr6
    Journal of Physical Chemistry C. 2024; 128(22): 9217-9228. https://doi.org/10.1021/acs.jpcc.3c07957
    DORA PSI
  • Daas HAL, Ballard G, Grigori L, Kumar S, Rouse K
    Communication lower bounds and optimal algorithms for multiple tensor-times-matrix computation
    SIAM Journal on Matrix Analysis and Applications. 2024; 45(1): 450-477. https://doi.org/10.1137/22M1510443
    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
  • Sadr M, Hadjiconstantinou NG, Gorji MH
    Wasserstein-penalized entropy closure: a use case for stochastic particle methods
    Journal of Computational Physics. 2024; 511: 113066 (27 pp.). https://doi.org/10.1016/j.jcp.2024.113066
    DORA PSI
  • Sidler D, Schnappinger T, Obzhirov A, Ruggenthaler M, Kowalewski M, Rubio A
    Unraveling a cavity-induced molecular polarization mechanism from collective vibrational strong coupling
    Journal of Physical Chemistry Letters. 2024; 15(19): 5208-5214. https://doi.org/10.1021/acs.jpclett.4c00913
    DORA PSI
  • Appel C, Aliyah K, Lazaridis T, Prehal C, Ammann M, Xu L, et al.
    Operando scanning small-/wide-angle X-ray scattering for polymer electrolyte fuel cells: investigation of catalyst layer saturation and membrane hydration- capabilities and challenges
    ACS Applied Materials and Interfaces. 2024; 16: 25938-25952. https://doi.org/10.1021/acsami.3c11173
    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
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