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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
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