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
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.
CSD Christmas
Our Christmas party was a truly unforgettable moment that brought us all a great deal of joy. The festively decorated room was bathed in warm light and the Christmas atmosphere was palpable from the very beginning. The scent of pine branches and mandarins was in the air and contributed to the cozy atmosphere.
Upcoming Events
Publications
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Tohme T, Sadr M, Youcef-Toumi K, Hadjiconstantinou NG
MESSY estimation: maximum-entropy based stochastic and symbolic densitY estimation
Transactions on Machine Learning Research. 2024; 2024(1): 1-31. https://openreview.net/forum?id=Y2ru0LuQeS.
DORA PSI -
Knurr J, Hemberger P, Ascher P, Augustin S, Hoffman DJ, Knopp G, et al.
Ultrathin liquid sheets: water gets in shape for VUV absorption
Physical Chemistry Chemical Physics. 2025. https://doi.org/10.1039/d4cp04619f
DORA PSI -
Jaramillo-Sierra D, Stefanowska-Skrodzka M, Lavarenne J, Deveaux E, Brunetto E, Matocha V, et al.
PuMMA blind benchmark: performance of high plutonium content MOX fuel under irradiation
Nuclear Engineering and Design. 2025; 435: 113960 (15 pp.). https://doi.org/10.1016/j.nucengdes.2025.113960
DORA PSI