Simulations of thermodynamics and kinetics on rough energy landscapes with milestoning.

Juan M. Bello-Rivas Ron Elber

Published in: J. Comput. Chem. (2016)

Keyphrases

energy consumption
rough sets
energy minimization
experimental data
low energy
data sets
machine learning
chemical reaction
artificial intelligence
e learning
pattern recognition
data analysis
simulation study
numerical simulations
minimum energy