Fast non-iterative calculation of solvation energies for water and non-aqueous solvents.

Sergei F. Vyboishchikov Alexander A. Voityuk

Published in: J. Comput. Chem. (2021)

Keyphrases

higher order
water quality
markov random field
real time
neural network
water supply
iterative optimization
three dimensional
bayesian networks
data driven
graph cuts
energy function
iterative process
iterative methods
water level
porous media