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Hashemian, Behrooz (Fecha de defensa: 2015-05-08)
Collective 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 ...
Millán, Daniel (Fecha de defensa: 2012-11-12)
In many applications, one would like to perform calculations on smooth manifolds of dimension d embedded in a high-dimensional space of dimension D. Often, a continuous description of such manifold is ...