PSI Center for Scientific Computing, Theory and Data

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

Sep

16. September 2024 • 11:00 - 12:00

•Event

•PSI Auditorium, WHGA/001

Sep

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Publications

Pazhedath A, Bastonero L, Marzari N, Simoncelli M
First-principles characterization of thermal conductivity in LaPO4 -based alloys
Physical Review Applied. 2024; 22(2): 024064 (21 pp.). https://doi.org/10.1103/PhysRevApplied.22.024064
DORA PSI
Du D, Baird TJ, Eimre K, Bonella S, Pizzi G
Jupyter widgets and extensions for education and research in computational physics and chemistry
Computer Physics Communications. 2024; 305: 109353 (11 pp.). https://doi.org/10.1016/j.cpc.2024.109353
DORA PSI
Lin R, Ramires A, Chitra R
Decoding the drive-bath interplay: a guideline to enhance superconductivity
Physical Review Letters. 2024; 133(8): 086001 (7 pp.). https://doi.org/10.1103/PhysRevLett.133.086001
DORA PSI