Variationally enhanced sampling with permutationally invariant collective variables

Bin, Song2022-07-112022-07-112022https://openscience.ub.uni-mainz.de/handle/20.500.12030/7056engCC-BY-ND-4.0https://creativecommons.org/licenses/by-nd/4.0/540 Chemie540 Chemistry and allied sciencesVariationally enhanced sampling with permutationally invariant collective variablesDissertationxii, 137 Seiten (Illustrationen, Diagramme)