tmpchem / physical_chemistryLinks
Files used in TMP Chem videos on physical chemistry
☆28Updated 11 years ago
Alternatives and similar repositories for physical_chemistry
Users that are interested in physical_chemistry are comparing it to the libraries listed below
Sorting:
- Python implementation of Tully's Fewest Switches Surface Hopping☆19Updated 6 months ago
- Course material for an undergraduate quantum chemistry lab class☆51Updated last year
- ☆30Updated 5 years ago
- ASE density-functional tight-binding calculator☆68Updated 10 months ago
- Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models☆87Updated 4 years ago
- The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of mole…☆76Updated 6 months ago
- ☆21Updated 4 years ago
- Tools to interface ChIMES with various external codes.☆23Updated 3 months ago
- Analysis of quantum chemical interactions in molecules and solids.☆113Updated 2 weeks ago
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆71Updated 6 months ago
- A Set of Tutorials for the LAMMPS Simulation Package☆37Updated 2 months ago
- Full public release of large scale and linear scaling DFT code CONQUEST☆115Updated this week
- QE-GIPAW for Quantum-Espresso (official repository)☆38Updated 3 months ago
- ARC - Automatic Rate Calculator☆46Updated this week
- Interactive Python Notebooks for Physical Chemistry☆31Updated 2 years ago
- 1D density functional theory code in Python☆140Updated 2 years ago
- A classical Density Functional Theory code to calculate the properties of hard spheres or Lennard-Jones particles in planar geometry i.e.…☆17Updated 10 months ago
- Interactive Jupyter Notebooks for learning the fundamentals of Density-Functional Theory (DFT)☆77Updated last month
- A Python module for scripting with Q-Chem☆14Updated 3 years ago
- Open-source library for analyzing the results produced by ABINIT☆132Updated last month
- Lecture materials for: Ab initio methods in solid state physics.☆25Updated last year
- PySOC: python+fortran, spin-orbit coupling, LR-TD-DFT, TDA, TD-DFTB, Gaussian 09, DFTB+☆46Updated last year
- Molecular Simulation with Machine Learning - On-line workshop, July 13-14, 2020☆22Updated 5 years ago
- A minimalistic atomic Density Functional Theory (DFT) code☆144Updated last week
- Python quantum chemistry (experimental and test routines)☆12Updated 4 years ago
- Lammps tutorial: graphene simulations☆33Updated 5 years ago
- ☆48Updated this week
- Cassandra is a Monte Carlo package to conduct atomistic simulations.☆48Updated last month
- Fundamentals and Applications of Density Functional Theory with Interactive Live Scripts and Intuitive Codes☆18Updated 7 months ago
- On-the-fly calculation of Transport Properties☆27Updated 2 years ago