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
The life of the Center
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