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:
- The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of mole…☆73Updated 4 months ago
- ASE density-functional tight-binding calculator☆67Updated 8 months ago
- QE-GIPAW for Quantum-Espresso (official repository)☆36Updated 3 weeks ago
- Course material for an undergraduate quantum chemistry lab class☆50Updated last year
- ☆23Updated 2 months ago
- ☆30Updated 7 years ago
- Toolkit using the Atomistic Simulation Environment (ASE)☆20Updated 5 years ago
- Python quantum chemistry (experimental and test routines)☆12Updated 4 years ago
- Interactive Python Notebooks for Physical Chemistry☆30Updated 2 years ago
- Lecture materials for: Ab initio methods in solid state physics.☆22Updated 9 months ago
- PySOC: python+fortran, spin-orbit coupling, LR-TD-DFT, TDA, TD-DFTB, Gaussian 09, DFTB+☆42Updated last year
- Full public release of large scale and linear scaling DFT code CONQUEST☆115Updated last month
- A program implementing the Hartree–Fock (also post-HF: MP2, CCSD(T), CIS and TDHF/RPA)/self-consistent field method (also DIIS) with Gaus…☆63Updated last year
- Analysis of quantum chemical interactions in molecules and solids.☆110Updated 3 weeks ago
- IQmol is an open source molecular editor and visualization package☆106Updated 2 years ago
- Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models☆87Updated 3 years ago
- Resources for teaching quantum chemistry courses in Bonn☆41Updated 2 months ago
- Tools to interface ChIMES with various external codes.☆22Updated 3 weeks ago
- BURAI, a GUI system of Quantum ESPRESSO☆69Updated 4 years ago
- Monte Carlo and Molecular Dynamics Simulation Package☆91Updated last year
- ☆52Updated 2 weeks ago
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆70Updated 4 months ago
- Molecular Simulation with Machine Learning - On-line workshop, July 13-14, 2020☆22Updated 5 years ago
- Fundamentals and Applications of Density Functional Theory with Interactive Live Scripts and Intuitive Codes☆16Updated 5 months ago
- GOMC - GPU Optimized Monte Carlo is a parallel molecular simulation code designed for high-performance simulation of large systems☆84Updated this week
- Python implementation of Tully's Fewest Switches Surface Hopping☆18Updated 3 months ago
- ☆30Updated 5 years ago
- A Python module for scripting with Q-Chem☆14Updated 3 years ago
- ☆45Updated 5 years ago
- Crawford's Quantum Chemistry Exercises by Python approach☆32Updated 3 years ago