PSI Center for Scientific Computing, Theory and Data

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.

PASC

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

 

RSE

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!

Kettenbrücke

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. 

Fondueboat

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 2024

LSM Christmas

A very special culinary experience awaited the LSM people in the Lemmon Fondue Chalet in Baden. 

  • 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
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