Communication: Hybrid ensembles for improved force matching

ForceFit: A code to fit classical force fields to quantum mechanical potential energy surfaces

(2010) Benjamin Waldher et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Simultaneous fitting of a potential-energy surface and its corresponding force fields using feedforward neural networks

(2009) A. Pukrittayakamee et al.   JOURNAL OF CHEMICAL PHYSICS

Developing ab initio quality force fields from condensed phase quantum-mechanics/molecular-mechanics calculations through the adaptive force matching method

(2008) Omololu Akin-Ojo et al.   JOURNAL OF CHEMICAL PHYSICS

Parametrization of analytic interatomic potential functions using neural networks

(2008) M. Malshe et al.   JOURNAL OF CHEMICAL PHYSICS

The multiscale coarse-graining method. I. A rigorous bridge between atomistic and coarse-grained models

(2008) W. G. Noid et al.   JOURNAL OF CHEMICAL PHYSICS

A Systematic Comparison of Pairwise and Many-Body Silica Potentials

(2008) Sterling Paramore et al.   Journal of Chemical Theory and Computation