A universal graph deep learning interatomic potential for the periodic table
Chi Chen, Shyue Ping Ong
Topics & Concepts
Computer scienceGraphPeriodic tableInteratomic potentialMolecular dynamicsComputational scienceRelaxation (psychology)Statistical physicsTheoretical computer scienceComputational chemistryPhysicsChemistryQuantum mechanicsPsychologySocial psychologyMachine Learning in Materials ScienceX-ray Diffraction in CrystallographyComputational Drug Discovery Methods