The PSI Center for Scientific Computing, Theory and Data links new opportunities of computational materials modelling and data science with PSI’s unique large research facilities.
Scientific Highlights & News
Prof. Laura Grigori wins the SIAM Supercomputing Career Prize
Congratulations to Laura Grigori for being awarded the 2024 SIAM Activity Group on Supercomputing Career Prize in acknowledgement of her "outstanding contributions to scientific computing, particularly communication-avoiding algorithms".
Are you interested in working at the Scientific Computing, Theory and Data division at the PSI?
We invite you to join us at the Paul Scherrer Institute, one of Europe's premier multidisciplinary research centres. Since its establishment in 1988, PSI has been dedicated to advancing scientific discovery across various fields. The Scientific Computing, Theory and Data (CSD) division at PSI serves as the core of computational science and data analysis at our institute, playing an important role in supporting research across all scientific disciplines.
New Nat. Rev. Phys. publication: A “gold standard” for computational materials science codes
A large consortium of scientists, coordinated by PSI researchers in the LMS laboratory, led the most comprehensive verification effort so far on computer codes for materials simulations, providing their colleagues with a reference dataset and a set of guidelines for assessing and improving existing and future codes.
The life of the Center
CSD Waldfäscht
On August 26th, our division enjoyed a very pleasant get-together with great food, lively conversations, and team bonding over a barbecue, creating a warm atmosphere for everyone to connect outside the usual work environment.
Highlights from the 1st CSD Scientific Retreat
The 1st Scientific Computing, Theory and Data Scientific Retreat commenced on March 13th, 2024, marking a significant milestone in the collaborative efforts of the division researchers and scientists. Hosted at the Dorfschüür Würenlingen, the event brought together the division to share insights, updates, and visions for the future of our division.
Welcome to the Science IT (AWI) Department New Workplace!
We are thrilled to welcome employees and guests to the Science IT area on the second floor of the new OBBA building. With its modern amenities and innovative design, this building serves as a testament to our commitment to fostering collaboration and creativity within the CSD division.
Publications
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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 -
Pelloni S, Rochman D
Adjusting aluminum elastic scattering data from the TALYS nuclear reaction code based upon fast criticalities
Annals of Nuclear Energy. 2025; 211: 111000 (11 pp.). https://doi.org/10.1016/j.anucene.2024.111000
DORA PSI