Exploració per autor "Hashemian, Behrooz"
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Machine learning in multiscale modeling and simulations of molecular systems
Hashemian, Behrooz (Universitat Politècnica de Catalunya, 2015-05-08)
Tesi
Accés obertCollective variables (CVs) are low-dimensional representations of the state of a complex system, which help us rationalize molecular conformations and sample free energy landscapes with molecular dynamics simulations. ...