University of California, San Diego

ucsd materials density functional theory quantum mechanics nano266 crystallography nano106 science tensors pymatgen materials virtual lab materials project first principles informatics project machine learning ai python materials genomics workshop acs 248th national meeting materials design calculations lithium-ion battery python genome rest genomics big data ml high-throughput fireworks design "future technologies in automated atomistic simula cecam error handling custodian pymatgen-db database vasp analysis materials api icme molecular dynamics electrochemical windows ionic liquids phase stability nano sodium-air lithium-air ab initio superionic conductor dft research api innovation explorer