PSI Center for Scientific Computing, Theory and Data | PSI

A potential shortcut

Today, machine learning and artificial intelligence are part of the toolkit for most researchers at PSI. In many cases these methods are fundamentally transforming the way we do science.

22.06.2022

•Large research facilities

•17 min

Faster and smarter

PSI is pooling its expertise regarding the evaluation of research data in the new research division Scientific Computing, Theory and Data.

06.05.2022

•8 min

Deep learning to avoid weather disappointments

Saharan dust storms played havoc with weather predictions. Invertible neural networks to retrieve aerosol properties from light scattering data may help.

02.03.2022

•Future Technologies

•8 min

Superconducting qubit first success at Quantum Computing Hub

Andreas Wallraff talks about moving in, refrigerators and measuring the first superconducting qubit at the ETHZ-PSI Quantum Computing hub.

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.

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Scientific Highlights & News

18.01.2024

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".

18.01.2024

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

14.11.2023

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.

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The life of the Center

02.09.2024

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.

02.09.2024

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.

13.12.2023

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.

The life of the Center

Upcoming Events

Oct

14. October 2024 • 11:00 - 12:00

•Event

•PSI Auditorium, WHGA/001

Oct

A mathematical and numerical analysis perspective on electronic structure calculation methods

Prof. Cancès, Eric

Oct

16. October 2024 • 10:00 - 11:00

•Event

•OSGA/EG6b

Oct

Tenure Progress Talk - A digital infrastructure for materials discovery and characterization

Pizzi, Giovanni

Oct

21. October 2024 • 11:00 - 12:00

•Event

•PSI Auditorium, WHGA/001

Oct

CSD Colloquium

Prof. Rohringer, Nina

More Events

Publications

Scuro NL, Beneš O, Lorenzi S, Krstovic M, Krepel J, Piro MHA
Coupled computational fluid dynamics and computational thermodynamics simulations for fission product retention and release: a molten salt fast reactor application
Progress in Nuclear Energy. 2024; 177: 105450 (19 pp.). https://doi.org/10.1016/j.pnucene.2024.105450
DORA PSI
Philippe J, Elson F, Casati NPM, Sanz S, Metzelaars M, Shliakhtun O, et al.
(C₅H₉NH₃)₂CuBr₄: A metal-organic two-ladder quantum magnet
Physical Review B. 2024; 110(9): 094101 (13 pp.). https://doi.org/10.1103/PhysRevB.110.094101
DORA PSI
Chesser I, Derlet PM, Mishra A, Paguaga S, Mathew N, Dang K, et al.
Structure and migration of heavily irradiated grain boundaries and dislocations in Ni in the athermal limit
Physical Review Materials. 2024; 8(9): 093606 (18 pp.). https://doi.org/10.1103/PhysRevMaterials.8.093606
DORA PSI