Combined Force-Frequency Sampling for Simulation of Systems Having Rugged Free Energy Landscapes.
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DOI: 10.1021/acs.jctc.9b00883
Abstract: An adaptive, machine-learning based sampling method is presented for simulation of systems having rugged, multi-dimensional free energy landscapes. The method's main strength resides in its ability to learn both from the frequency of visits to… read more here.
Keywords: simulation systems; energy landscapes; systems rugged; energy ... See more keywords