☆11Dec 19, 2016Updated 9 years ago
Alternatives and similar repositories for Grain-Boundary-Energies-LAMMPS
Users that are interested in Grain-Boundary-Energies-LAMMPS are comparing it to the libraries listed below
Sorting:
- GPUMD and LAMMPS helper functions for thermal computations☆26Jul 2, 2022Updated 3 years ago
- Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆16Mar 11, 2020Updated 5 years ago
- Tutorials on atomic simulations related to my research☆31Jun 30, 2022Updated 3 years ago
- This code deals with MD trajectory from VASP. It calculates lattice parameters, RMSD, and coordination number and also generates .xyz out…☆11Oct 11, 2021Updated 4 years ago
- Python library for computing electron-phonon renormalizations from finite displacements☆11Jan 6, 2025Updated last year
- extract third order force constants from TDEP output☆10Jun 22, 2020Updated 5 years ago
- Some examples of GPUMD☆23May 15, 2024Updated last year
- Python program for analyzing the output files of phonopy.☆14Sep 14, 2021Updated 4 years ago
- GPUMD and LAMMPS helper functions for thermal computations☆10May 21, 2022Updated 3 years ago
- Extension of almaBTE's Monte Carlo code beyond the relaxation-time approximation.☆10Sep 24, 2023Updated 2 years ago
- Contains the MD model used in the article Dewapriya and Miller, J. Appl. Mech. 88(10): 101005 (2021).☆12Jul 14, 2021Updated 4 years ago
- Codes for translating structural defects to atomic properties☆14Sep 12, 2022Updated 3 years ago
- Harmonic phonon transmission calculations from molecular dynamics trajectories☆14Nov 11, 2019Updated 6 years ago
- A 200-line Matlab implementation of the Atomistic Green's function (AGF) method for phonon transport☆28Feb 8, 2020Updated 6 years ago
- Crsytal simulation tools☆10Mar 3, 2026Updated last week
- phq: a Fortran code to compute phonon quasiparticle properties and dispersions☆14Aug 16, 2019Updated 6 years ago
- ☆31Dec 4, 2022Updated 3 years ago
- Some codes/scripts I wrote for post-processing the ugly formatted VASP outputs.☆13Aug 15, 2020Updated 5 years ago
- Python codes to calculate phonon spectral energy density from LAMMPS velocity data.☆29Jan 21, 2021Updated 5 years ago
- Sample codes on computational solid state physics☆17Aug 15, 2020Updated 5 years ago
- Solver for the Semiconductor Bloch Equations describing optical response of a semiconductor nano-structure on an optical excitation.☆18Jun 12, 2025Updated 8 months ago
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆58Sep 25, 2023Updated 2 years ago
- A user package of LAMMPS software enabling simulations using linearized machine learning potentials☆10Feb 4, 2026Updated last month
- This is a GPU optimized version of ShengBTE.☆19Oct 3, 2024Updated last year
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆71Mar 15, 2024Updated last year
- To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.☆51Feb 2, 2026Updated last month
- 厦门大学疫情自动打卡☆12Dec 9, 2022Updated 3 years ago
- 机器学习预测表面物种性质 Predict property on surface using machine learning with SOAP encode☆17Dec 27, 2018Updated 7 years ago
- Generative deep learning model for inorganic materials☆19Mar 24, 2023Updated 2 years ago
- Count rings in a undirected graph.☆18May 6, 2023Updated 2 years ago
- Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.☆18Dec 8, 2022Updated 3 years ago
- Generate data file for lammps using force field and a POSCAR (VASP) like input file.☆18Feb 19, 2016Updated 10 years ago
- Tools for phase field crystal modeling of two-dimensional materials.☆19Oct 27, 2019Updated 6 years ago
- python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using parall…☆22Aug 19, 2025Updated 6 months ago
- Allen-Feldman thermal conductivity compatible to GULP implementation☆21Apr 1, 2025Updated 11 months ago
- Phonon anharmonicity analysis from molecular dynamics☆137Oct 2, 2025Updated 5 months ago
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆28Dec 10, 2024Updated last year
- Phase field model for material science applications.☆28Mar 4, 2019Updated 7 years ago
- python library for post-processing of Electron Backscattered Diffraction (EBSD) data☆29Jun 4, 2025Updated 9 months ago