Related references
Note: Only part of the references are listed.A Density-Functional Theory-Based Neural Network Potential for Water Clusters Including van der Waals Corrections
Tobias Morawietz et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2013)
On representing chemical environments
Albert P. Bartok et al.
PHYSICAL REVIEW B (2013)
Density functional theory guided Monte Carlo simulations: Application to melting of Na13
Satya Bulusu et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
High-dimensional neural network potentials for metal surfaces: A prototype study for copper
Nongnuch Artrith et al.
PHYSICAL REVIEW B (2012)
Neural network interatomic potential for the phase change material GeTe
Gabriele C. Sosso et al.
PHYSICAL REVIEW B (2012)
High-dimensional neural-network potentials for multicomponent systems: Applications to zinc oxide
Nongnuch Artrith et al.
PHYSICAL REVIEW B (2011)
Ab initio quality neural-network potential for sodium
Hagai Eshet et al.
PHYSICAL REVIEW B (2010)
Graphite-diamond phase coexistence study employing a neural-network mapping of the ab initio potential energy surface
Rustam Z. Khaliullin et al.
PHYSICAL REVIEW B (2010)
Gaussian Approximation Potentials: The Accuracy of Quantum Mechanics, without the Electrons
Albert P. Bartok et al.
PHYSICAL REVIEW LETTERS (2010)
Metadynamics simulations of the high-pressure phases of silicon employing a high-dimensional neural network potential
Joerg Behler et al.
PHYSICAL REVIEW LETTERS (2008)
Trends in energies and geometric structures of neutral and charged aluminum clusters
Rene Fournier
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2007)
Generalized neural-network representation of high-dimensional potential-energy surfaces
Joerg Behler et al.
PHYSICAL REVIEW LETTERS (2007)
A nested molecule-independent neural network approach for high-quality potential fits
S Manzhos et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2006)
Structural optimization of atomic clusters by tabu search in descriptor space
J Cheng et al.
THEORETICAL CHEMISTRY ACCOUNTS (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)
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)
Efficient ab initio sampling methods in rate constant calculations for proton-transfer reactions
R Iftimie et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Using a classical potential as an efficient importance function for sampling from an ab initio potential
R Iftimie et al.
JOURNAL OF CHEMICAL PHYSICS (2000)