Login / Signup
Performing solvation free energy calculations in LAMMPS using the decoupling approach.
Vikram Khanna
Jacob I. Monroe
Michael F. Doherty
Baron Peters
Published in:
J. Comput. Aided Mol. Des. (2020)
Keyphrases
</>
free energy
belief propagation
upper bound
fixed point
competitive learning
approximate inference
posterior distribution
image processing
high quality
graphical models
stereo matching
generalized belief propagation
machine learning
energy minimization