Related references
Note: Only part of the references are listed.New fitting scheme to obtain effective potential from Car-Parrinello molecular-dynamics simulations:: Application to silica
A. Carre et al.
EPL (2008)
Cis→trans, trans→cis isomerizations and N-O bond dissociation of nitrous acid (HONO) on an ab initio potential surface obtained by novelty sampling and feed-forward neural network fitting
Hung M. Le et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Interpolating moving least-squares methods for fitting potential energy surfaces: Improving efficiency via local approximants
Yin Guo et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Theoretical investigation of the dissociation dynamics of vibrationally excited vinyl bromide on an ab initio potential-energy surface obtained using modified novelty sampling and feedforward neural networks.: II.: Numerical application of the method
M. Malshe et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Interpolating moving least-squares methods for fitting potential energy surfaces: Computing high-density potential energy surface data from low-density ab initio data points
Richard Dawes et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Interpolating moving least-squares methods for fitting potential energy surfaces:: An application to the H2CN unimolecular reaction
Yin Guo et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Parametrization of interatomic potential functions using a genetic algorithm accelerated with a neural network
S. Bukkapatnam et al.
PHYSICAL REVIEW B (2006)
Molecular dynamics investigations of the dissociation of SiO2 on an ab initio potential energy surface obtained using neural network methods
PM Agrawal et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Ab initio potential-energy surfaces for complex, multichannel systems using modified novelty sampling and feedforward neural networks -: art. no. 084104
LM Raff et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Improving the accuracy of interpolated potential energy surfaces by using an analytical zeroth-order potential function
A Kawano et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Interpolating moving least-squares methods for fitting potential energy surfaces: Applications to classical dynamics calculations
Y Guo et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Effective force fields for condensed phase systems from ab initio molecular dynamics simulation:: A new method for force-matching
S Izvekov et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Interpolating moving least-squares methods for fitting potential energy surfaces: Detailed analysis of one-dimensional applications
GG Maisuradze et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Molecular potential-energy surfaces for chemical reaction dynamics
MA Collins
THEORETICAL CHEMISTRY ACCOUNTS (2002)
An ab initio parametrized interatomic force field for silica
P Tangney et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Potential energy surface of the (A)over-tilde state of NH2 and the role of excited states in the N(2D)+H2 reaction
LA Pederson et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2000)
Share Paper
