WyCryst: Wyckoff inorganic crystal generator framework
Ruiming Zhu, Wei Nong, Shuya Yamazaki, Kedar Hippalgaonkar
Topics & Concepts
Generator (circuit theory)Crystal (programming language)Materials scienceCrystallographyChemistryComputer sciencePhysicsProgramming languagePower (physics)Quantum mechanicsMachine Learning in Materials ScienceX-ray Diffraction in CrystallographyElectronic and Structural Properties of Oxides