GPU-accelerated artificial neural network potential for molecular dynamics simulation
Meng Zhang, Koki Hibi, Junya Inoue
Topics & Concepts
Computer scienceGraphics processing unitCUDAArtificial neural networkGraphicsComputational scienceMolecular dynamicsComputationCentral processing unitParallel computingGeneral-purpose computing on graphics processing unitsAlgorithmArtificial intelligenceComputer hardwareComputer graphics (images)Computational chemistryChemistryMachine Learning in Materials ScienceFuel Cells and Related MaterialsFerroelectric and Negative Capacitance Devices