Create datasets to upload and publish data. Further organize your data using folders and assign metadata at both the file and dataset level.
The 39th NCCR MARVEL Distinguished Lecture will be given by Prof. Gerbrand Ceder (University of California, Berkeley). He will be presenting a lecture entitled: "How the future of science may look: AI and autonomous laboratories for materials synthesis".
The 40th NCCR MARVEL Distinguished Lecture will be given by Prof. Alexandre Tkatchenko, University of Luxembourg. He will be presenting a lecture entitled: "Realizing Schrödinger's dream with AI-enabled molecular simulations".
In these complex times, we believe that the theme of Science and Diplomacy is of utmost relevance. We plan to address it from points of view that include education and scientific exchange in developing countries, the potential of computational science as a facilitator for diplomacy, actions of international institutions promoting peace and disarmament, and the management of cooperative research infrastructures in problematic areas.
The 36th NCCR MARVEL Distinguished Lecture will be given by Prof. Dominika Zgid, University of Michigan. She will be presenting a lecture entitled: 'Ab-initio Green's functions methods for molecules and solids. What accuracy can we reach?'
PWTK overview & basics
Using PWTK on HPC machines; Convergence tests made easy by PWTK
Automating calculations and analyzing results with PWTK & XCrySDen
Workflows (PDOS, DIFDEN, NEB, plugins)
Special session: HOW TO script this & that (suggestions from participants)
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