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
HPCP Summer School FHNW/PSI
The institute for Data Science of the FHNW in Brugg - Windisch and AWI department of PSI held a joint course on high performance computing. The course addressed computer science students of FHNW and interested individuals at PSI. Two full days at the FHNW (with Apero) were followed by two full days at PSI using Merlin6 (with tour).
Congratulations to Sonali for winning the ACM student research competition !
Congratulations to Sonali for winning the ACM student research competition that took place at PASC 2025 in Brugg as part of the SIGHPC ACM SIG conference
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!
The life of the Center
CSD Science Day 2025
The CSD Science Day retreat with 100 participants was an exceptional experience, marked by a wealth of insightful contributions on Artificial Intelligence. The event included a series of thought presentations, exploring the latest trends and innovations in AI. A particularly engaging panel discussion provided an opportunity for deeper dialogue on key topics, offering diverse perspectives and stimulating discussions among the participants.
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.
Publications
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Stotskyi V, Di Lorenzo F, Marques Fernandes M, Krack M, Scheinost AC, Lanson M, et al.
Local Crystal Structure of Ni2+- and Zn2+-Doped Saponite Determined by EXAFS Spectroscopy and Ab Initio MD Modeling
Journal of Physical Chemistry C. 2025; 129(30): 13691-13704. https://doi.org/10.1021/acs.jpcc.5c01314
DORA PSI -
Hamoud B, Usmanova I, Levy KY
Safety in the face of adversity: achieving zero constraint violation in online learning with slowly changing constraints
In: Li Y, Mandt S, Agrawal S, Khan E, eds. Proceedings of the 28th international conference on artificial intelligence and statistics (AISTATS). Vol. 258. Proceedings of Machine Learning Research (PMLR). sine loco: ML Research Press; 2025:3178-3186.
DORA PSI -
Agostinho De Sousa J, Griffiths A, Dalrymple KV, White SL, Von Meyenn F, Poston L, et al.
Metallomic profiles of pregnant women living with obesity in the UK: a secondary analysis of UPBEAT
Metallomics. 2025; 17(8): mfaf031 (13 pp.). https://doi.org/10.1093/mtomcs/mfaf031
DORA PSI