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
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Kittel C, Sarracini A, Augustin S, Yang N, Al Haddad A, Ferrari E, et al.
Demonstration of full polarization control of soft X-ray pulses with Apple X undulators at SwissFEL using recoil ion momentum spectroscopy
Journal of Synchrotron Radiation. 2024; 31(Pt 5): 1134-1145. https://doi.org/10.1107/S1600577524006325
DORA PSI -
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