Open AccessA SURROGATE MODEL OF MOLECULAR DYNAMICS SIMULATIONS FOR POLAR FLUIDS: SUPERVISED LEARNING METHODS FOR MOLECULAR POLARIZATION AND UNSUPERVISED METHODS FOR PHASE CLASSIFICATION
Author(s) -
Zackerie W Hjorth
Publication year - 2022
Language(s) - English
Resource type - Dissertations/theses
DOI - 10.37099/mtu.dc.etdr/1358
Subject(s) - artificial intelligence , computer science , molecular dynamics , artificial neural network , surrogate model , unsupervised learning , machine learning , physics , quantum mechanics