jeanwsr / awesome-qc-courses
Quantum Chemistry course resources available on github and other platforms
☆46Updated 9 months ago
Related projects ⓘ
Alternatives and complementary repositories for awesome-qc-courses
- Repository for all summer program related programs☆42Updated last year
- Crawford's Quantum Chemistry Exercises by Python approach☆29Updated 2 years ago
- Gauge-including magnetically induced currents.☆28Updated 11 months ago
- MPI parallelization for PySCF☆33Updated 3 weeks ago
- Solutions for Modern Quantum Chemistry, Szabo & Ostlund☆82Updated 2 years ago
- ☆51Updated this week
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆79Updated 5 months ago
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆26Updated last week
- Quantum dynamics package based on tensor network states☆52Updated this week
- Orbital transfer and automatic multi-reference calculation for quantum chemistry☆35Updated this week
- ☆39Updated this week
- ☆20Updated 4 months ago
- adcc: Seamlessly connect your program to ADC☆32Updated this week
- ☆26Updated 9 months ago
- Full public release of large scale and linear scaling DFT code CONQUEST☆102Updated 2 weeks ago
- The main repository of Open Quantum Platform (OpenQP)☆23Updated this week
- 🎉 Simple restricted Hartree-Fock code in Python☆35Updated 5 years ago
- Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemis…☆80Updated last week
- ☆27Updated 2 months ago
- Quantum Chemistry Course @ BNU2021☆21Updated 2 years ago
- Python interface for Q-Chem☆21Updated 3 weeks ago
- PySOC: python+fortran, spin-orbit coupling, LR-TD-DFT, TDA, TD-DFTB, Gaussian 09, DFTB+☆39Updated 5 months ago
- The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of mole…☆70Updated last week
- ☆31Updated 4 years ago
- a unified interface for molecular harmonic vibrational frequency calculations☆30Updated 3 months ago
- CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry☆70Updated 2 years ago
- stda program for computing excited states and response functions via simplified TD-DFT methods (sTDA, sTD-DFT, and SF-sTD-DFT)☆31Updated last year
- The official OpenMolcas repository is at https://gitlab.com/Molcas/OpenMolcas, this is only a mirror. OpenMolcas is a quantum chemistry s…☆53Updated last week
- Tutorials showcasing various capabilities of Libra☆21Updated 3 months ago