Neural network predictions of oxygen interactions on a dynamic Pd surface

Amp : A modular approach to machine learning in atomistic simulations

(2016) Alireza Khorshidi et al.   COMPUTER PHYSICS COMMUNICATIONS

Neural network and ReaxFF comparison for Au properties

(2016) Jacob R. Boes et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Grand canonical molecular dynamics simulations of Cu–Au nanoalloys in thermal equilibrium using reactive ANN potentials

(2015) Nongnuch Artrith et al.   COMPUTATIONAL MATERIALS SCIENCE

Constructing high-dimensional neural network potentials: A tutorial review

(2015) Jörg Behler   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Gaussian approximation potentials: A brief tutorial introduction

(2015) Albert P. Bartók et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Implications of coverage-dependent O adsorption for catalytic NO oxidation on the late transition metals

(2014) Kurt Frey et al.   Catalysis Science & Technology

Simulating Temperature Programmed Desorption of Oxygen on Pt(111) Using DFT Derived Coverage Dependent Desorption Barriers

(2013) Spencer D. Miller et al.   TOPICS IN CATALYSIS

High-dimensional neural network potentials for metal surfaces: A prototype study for copper

(2012) Nongnuch Artrith et al.   PHYSICAL REVIEW B

Atom-centered symmetry functions for constructing high-dimensional neural network potentials

(2011) Jörg Behler   JOURNAL OF CHEMICAL PHYSICS

Ordering and Oxygen Adsorption in Au–Pt/Pt(111) Surface Alloys

(2011) Wei Chen et al.   Journal of Physical Chemistry C

High-dimensional neural-network potentials for multicomponent systems: Applications to zinc oxide

(2011) Nongnuch Artrith et al.   PHYSICAL REVIEW B

Ab initioquality neural-network potential for sodium

(2010) Hagai Eshet et al.   PHYSICAL REVIEW B

Correlations in coverage-dependent atomic adsorption energies on Pd(111)

(2009) John R. Kitchin   PHYSICAL REVIEW B

On the move of strongly chemisorbed species on metals: The example of O diffusion on Pd(111) surface

(2008) Alexis Markovits et al.   CHEMICAL PHYSICS LETTERS

Metadynamics Simulations of the High-Pressure Phases of Silicon Employing a High-Dimensional Neural Network Potential

(2008) Jörg Behler et al.   PHYSICAL REVIEW LETTERS