PO Box 6025
Morgantown, WV 26506
United States
West Virginia University
Large-scale database, DFT high-throughput, Machine learning force field
electronic structure, DFT, post-processing
GaGeTe, topological semimetal, non-inversion symmetry
TMDH compounds, First-principles calculations, Electronic structure, Mechanical stability, Magnons, Spintronics
epitaxial films, anisotropy, strain, complex dielectric functions, critical point transitions, Bandgap
Manganites, Vacancies, Half-metals, Local DOS, DFT, Exchange Interactions