Partial hessian fitting for determining force constant parameters in molecular mechanics.

Ruixing Wang Mikhail Ozhgibesov Hajime Hirao

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

Keyphrases

parameter estimation
parametric models
three dimensional
data sets
parameter space
maximum likelihood estimation
neural network
learning algorithm
sensitivity analysis
computer vision
parameter settings
input parameters
fine tuning
difference equations
jacobian matrix