Abstract:Evaporation
studies of water using classical molecular dynamics
simulations are largely limited due to their high computational expense.
This study addresses that issue by developing coarse-grained molecular
dynamics models based on Morse potential. Models are optimized based
on multi-temperature and at room temperature using machine learning
techniques like Genetic Algorithm, Nelder–Mead algorithm, and
Strength Pareto Evolutionary Algorithm. The multi-temperature-based
model named as Morse-D is found to be mo… Show more
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