- Datasets
Datasets
Create datasets to upload and publish data. Further organize your data using folders and assign metadata at both the file and dataset level.
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11: David Ceperley - Quantum Monte Carlo methods in the continuum
David Ceperley (University of Illinois Urbana-Champaign, USA) will give a lecture on "Quantum Monte Carlo methods in the continuum", in what will be the 11th event in the series "Classics in molecular and materials modelling" hosted by CECAM and MARVEL.
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39: How the future of science may look: AI and autonomous laboratories for materials synthesis.
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'.
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40: Realizing Schrödinger's dream with AI-enabled molecular simulations
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".
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Science and Diplomacy
In these complex times, 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.
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36: Ab-initio Green's functions methods for molecules and solids.
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?'
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Day 1
PWTK overview & basics
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Day 2
Using PWTK on HPC machines; Convergence tests made easy by PWTK
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Day 3
Automating calculations and analyzing results with PWTK & XCrySDen
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