pymatgen swMATH ID: 21647 Software Authors: Ong, S. P.; Richards, W. D.; Jain, A.; Hautier, G.; Kocher, M.; Cholia, S.; Gunter, D.; Chevrier, V. L.; Persson, K. A.; Ceder, G. Description: Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis. Pymatgen (Python Materials Genomics) is a robust, open-source Python library for materials analysis. These are some of the main features: Highly flexible classes for the representation of Element, Site, Molecule, Structure objects. Extensive input/output support, including support for VASP (http://cms.mpi.univie.ac.at/vasp/), ABINIT (http://www.abinit.org/), CIF, Gaussian, XYZ, and many other file formats. Powerful analysis tools, including generation of phase diagrams, Pourbaix diagrams, diffusion analyses, reactions, etc. Electronic structure analyses, such as density of states and band structure. Integration with the Materials Project REST API, Crystallography Open Database. Homepage: http://pymatgen.org/ Related Software: Python; ASE; Matplotlib; SciPy; Spglib; NumPy; Scikit; Atomate; FireWorks; AiiDA; VASP; Quantum Espresso; ASR; AFLOW; Dask; WulffPack; CASTEP; XCrySDen; sumo; TensorFlow Cited in: 3 Publications all top 5 Cited by 12 Authors 1 Bilionis, Ilias 1 Christensen, John E. 1 Hart, Gus L. W. 1 Jarvis, Tyler J. 1 Jorgensen, Jeremy J. 1 Kristensen, Jesper Torp 1 Nguyễn Đình Đức 1 Nguyen Van Quyen 1 Pham Minh Quang 1 Pham Tien Lam 1 Tran Quoc Quan 1 Zabaras, Nicholas J. Cited in 2 Serials 1 Acta Mechanica 1 Communications in Computational Physics Cited in 5 Fields 2 Mechanics of deformable solids (74-XX) 1 Group theory and generalizations (20-XX) 1 Convex and discrete geometry (52-XX) 1 Manifolds and cell complexes (57-XX) 1 Computer science (68-XX) Citations by Year