Accuracy and transferability of Gaussian approximation potential models for tungsten

First-principles energetics of water clusters and ice: A many-body analysis

(2013) M. J. Gillan et al.   JOURNAL OF CHEMICAL PHYSICS

A full tungsten divertor for ITER: Physics issues and design status

(2013) R.A. Pitts et al.   JOURNAL OF NUCLEAR MATERIALS

Assessment of interatomic potentials for atomistic analysis of static and dynamic properties of screw dislocations in W

(2013) D Cereceda et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Interatomic potentials for modelling radiation defects and dislocations in tungsten

(2013) M-C Marinica et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

A modified W–W interatomic potential based onab initiocalculations

(2013) J Wang et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Machine-learning approach for one- and two-body corrections to density functional theory: Applications to molecular and condensed water

(2013) Albert P. Bartók et al.   PHYSICAL REVIEW B

On representing chemical environments

(2013) Albert P. Bartók et al.   PHYSICAL REVIEW B

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

(2012) Nongnuch Artrith et al.   PHYSICAL REVIEW B

Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning

(2012) Matthias Rupp et al.   PHYSICAL REVIEW LETTERS

Bond-order potential for point and extended defect simulations in tungsten

(2010) T. Ahlgren et al.   JOURNAL OF APPLIED PHYSICS

Modified analytical interatomic potential for a W–H system with defects

(2010) Xiao-Chun Li et al.   JOURNAL OF NUCLEAR MATERIALS

Gaussian Approximation Potentials: The Accuracy of Quantum Mechanics, without the Electrons

(2010) Albert P. Bartók et al.   PHYSICAL REVIEW LETTERS

Hybrid atomistic simulation methods for materials systems

(2009) N Bernstein et al.   REPORTS ON PROGRESS IN PHYSICS

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

(2008) Jörg Behler et al.   PHYSICAL REVIEW LETTERS