crystal-structure

There are 45 repositories under crystal-structure topic.

  • DeepCrysTet

    DeepCrysTet: A Deep Learning Approach Using Tetrahedral Mesh for Predicting Properties of Crystalline Materials

    Language:Python1

  • crystals

    Refinement and analysis of structures against single crystal diffraction data

    Language:Roff1

  • r-scripts

    A collection of cool R scripts for visualizing mutation operators found in XtalOpt, as well as plotting data for crystal structures.

    Language:R1

  • Matsci_demos

    3 demos of basic crystallography concepts

    Language:Mathematica1

  • Monolithic-Polylithic-Crystal-Segmentation

    A grid segmentation algorithm for clustering crystal structures using diffraction patterns. Useful in material science and nanotechnology, this code enables detailed analysis of crystals for research and industrial applications.

    Language:Jupyter Notebook

  • Crystal

    Crystal Repository: Extract detailed information from CIF files effortlessly with these Python scripts. Leveraging pymatgen and ASE libraries etc., these scripts provides crystal structure info, atomic data extraction, and versatility for seamless integration into various computational physics workflows.

    Language:Python

  • bfcv

    Basic Fortran CIF Viewer

    Language:Fortran

  • structure-and-electrical-properties-of-materials

    Physics of Materials - Electrical Properties - Semiconductors - Bohr Atomic Model - Crystal Structures - Material Classification | Structure and Electrical Properties of Materials at ECE NTUA

    Language:MATLAB

  • Generation-of-Question-paper

    QUESTION PAPER GENERATION SYSTEM

    Language:C#