Atom-centered machine-learning force field package
Lei Li, Ryan A. Ciufo, Jiyoung Lee, Chuan Zhou, Bo Lin, Jae‐Young Cho, Naman Katyal, Graeme Henkelman
Topics & Concepts
Python (programming language)Computer scienceFortranComputational scienceForce field (fiction)AlgorithmArtificial intelligenceMachine learningProgramming languageMachine Learning in Materials ScienceComputational Drug Discovery MethodsFuel Cells and Related Materials