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NCCR MARVEL - Materials’ Revolution: Computational Design and Discovery of Novel Materials (MARVEL)
Third-party funded project |
Project title |
NCCR MARVEL - Materials’ Revolution: Computational Design and Discovery of Novel Materials (MARVEL) |
Principal Investigator(s) |
Goedecker, Stefan
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Organisation / Research unit |
Departement Physik / Physik (Goedecker) |
Project Website |
http://nccr-marvel.ch/en/people |
Project start |
01.05.2014 |
Probable end |
30.04.2018 |
Status |
Completed |
Abstract |
Horizontal Project 4, Advanced Sampling Methods, aims to push the frontiers for structure-prediction, phase space and composition sampling. Earlier work of these groups laid the foundations for future ambitious achievements, from the development of metadynamics and well-tempered metadynamics, basin-hopping methods, and sketch maps. |
Keywords |
Computational Materials Science, First-principles Simulations, Electronic-structure Theory, Materials Design, Density-functional Theory |
Financed by |
Swiss National Science Foundation (SNSF)
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08/05/2024
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