Empowering materials science with VASPKIT: a toolkit for enhanced simulation and analysis
W. T. Geng, Ya-Chao Liu, Nan Xu, Gang Tang, Yoshiyuki Kawazoe, Vei Wang
Topics & Concepts
Computer scienceComputational biologyData scienceNanotechnologyComputational scienceBiologyMaterials scienceMachine Learning in Materials ScienceElectronic and Structural Properties of OxidesInorganic Chemistry and Materials