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.

Portrait of Grigori Laura

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".

Areal Teaser

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.

AiiDA common workflows for code verification

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. 

Waldfäscht

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

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.

AWI Workplace

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.

  • Yadav R, Sharma A, Das B, Majumder C, Das A, Sen S, et al.
    Air and water stable bicyclic (Alkyl)(Amino)carbene stabilized phosphenium cation: reactivity and selective fluoride ion affinity
    Chemistry: A European Journal. 2024. https://doi.org/10.1002/chem.202401730
    DORA PSI
  • Freudenstein J, Ito S, Schüler M, Meierhofer M, Schlauderer S, Reimann J, et al.
    Subcycle formation of Floquet-Bloch bands
    In: 2024 49th international conference on Infrared, millimeter, and terahertz waves IRMMW-THz 2024. International conference on infrared and millimeter waves. IEEE Computer Society; 2024. https://doi.org/10.1109/IRMMW-THz60956.2024.10697707
    DORA PSI
  • Adam W, Bergauer T, Damanakis K, Dragicevic M, Frühwirth R, Steininger H, et al.
    Measurement of the fractional radiation length of a pixel module for the CMS Phase-2 upgrade via the multiple scattering of positrons
    Journal of Instrumentation. 2024; 19(10): P10023 (41 pp.). https://doi.org/10.1088/1748-0221/19/10/P10023
    DORA PSI