hebrewsnabla / awesome-qc-courses
Quantum Chemistry course resources available on github and other platforms
☆43Updated 7 months ago
Related projects: ⓘ
- ☆22Updated this week
- Crawford's Quantum Chemistry Exercises by Python approach☆28Updated 2 years ago
- Repository for all summer program related programs☆41Updated last year
- Gauge-including magnetically induced currents.☆28Updated 9 months ago
- MPI parallelization for PySCF☆33Updated 3 months ago
- Quantum dynamics package based on tensor network states☆51Updated 3 weeks ago
- ☆25Updated 7 months ago
- Python interface for Q-Chem☆20Updated last month
- Course material for an undergraduate quantum chemistry lab class☆42Updated 3 weeks ago
- Solutions for Modern Quantum Chemistry, Szabo & Ostlund☆80Updated last year
- ☆29Updated 6 years ago
- ☆48Updated this week
- Python package for evaluating integrals of Gaussian type orbitals in electronic structure calculations☆23Updated last week
- ☆30Updated 4 years ago
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆21Updated last week
- Mathematica modules for electronic structure calculations☆24Updated last year
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆78Updated 3 months ago
- Solution of Hartree-Fock equations within Pople's STO-3G basis set☆33Updated 5 years ago
- ☆39Updated this week
- A research-grade quantum chemistry program written in Julia☆63Updated 3 years ago
- adcc: Seamlessly connect your program to ADC☆32Updated 3 weeks ago
- The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of mole…☆64Updated last month
- The official OpenMolcas repository is at https://gitlab.com/Molcas/OpenMolcas, this is only a mirror. OpenMolcas is a quantum chemistry s…☆52Updated last week
- Orbital transfer and automatic multi-reference calculation for quantum chemistry☆34Updated last week
- A Python library and command line interface for automated free energy calculations☆66Updated last week
- Python tool to manipulate Gaussian cube files☆39Updated last year
- CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry☆69Updated 2 years ago
- 🎉 Simple restricted Hartree-Fock code in Python☆35Updated 5 years ago
- An efficient toolkit for chemical resonance analysis based on quantum chemistry calculations. It implements the quantitative theory of re…☆25Updated last year
- eChem: Jupyter book on theoretical chemistry☆85Updated last week