LAVA 1.0: A general-purpose python toolkit for calculation of material properties with LAMMPS and VASP
Khanh Dang, Jie Chen, Brian Rodgers, Saryu Fensin
Topics & Concepts
Python (programming language)Computational scienceComputer scienceScripting languageMolecular dynamicsLavaProgramming languageChemistryComputational chemistryGeologySeismologyVolcanoMachine Learning in Materials ScienceMicrostructure and mechanical propertiesHigh-pressure geophysics and materials