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
Research Software Engineering (RSE) Movement at PSI
The online information event on the “Research Software Engineering (RSE) Movement” at PSI on Wednesday 7th May, 2025 was a quite success with an unexpected high number of 100+ participants!
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.
The life of the Center
LSM Retreat
The LSM carried out a scientific retreat, where students and young researchers presented their work. There was also a panel discussion on energy consumption in High Performance Computing (HPC) that involved the wohle audience.
IT Science Retreat/AWI New Year's Event
The day started with the IT Science retreat for group leaders and was an enriching experience that fostered both professional growth and personal connections. It took place in the Kraftwerk location in Zurich.
LSM Christmas
A very special culinary experience awaited the LSM people in the Lemmon Fondue Chalet in Baden.
Publications
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Halder S, Das K, Sen S, Halder S
Amino acid derived hydrogen bond donor (HBD) catalyst for the synthesis of cyclic carbonates and cyclic dithiocarbonates: experimental and computational studies
Asian Journal of Organic Chemistry. 2025. https://doi.org/10.1002/ajoc.202500244
DORA PSI -
Al Daas H, Ballard G, Grigori L, Kumar S, Rouse K, Verite M
Communication lower bounds and optimal algorithms for symmetric matrix computations
ACM Transactions on Parallel Computing. 2025; 12(2): 6 (43 pp.). https://doi.org/10.1145/3727344
DORA PSI -
Bastonero L, Malica C, Macke E, Bercx M, Huber S, Timrov I, et al.
First-principles Hubbard parameters with automated and reproducible workflows
npj Computational Materials. 2025; 11(1): 183 (13 pp.). https://doi.org/10.1038/s41524-025-01685-4
DORA PSI