jeanwsr / awesome-qc-coursesLinks
Quantum Chemistry course resources available on github and other platforms
☆53Updated last year
Alternatives and similar repositories for awesome-qc-courses
Users that are interested in awesome-qc-courses are comparing it to the libraries listed below
Sorting:
- Repository for all summer program related programs☆47Updated 4 months ago
- Solutions for Modern Quantum Chemistry, Szabo & Ostlund☆100Updated 10 months ago
- PySOC: python+fortran, spin-orbit coupling, LR-TD-DFT, TDA, TD-DFTB, Gaussian 09, DFTB+☆46Updated last year
- Gauge-including magnetically induced currents.☆31Updated 2 years ago
- The main repository of Open Quantum Platform (OpenQP) maintained by Choi Group at KNU.☆42Updated 2 weeks ago
- Quantum dynamics package based on tensor network states☆65Updated this week
- ☆48Updated this week
- 🎉 Simple restricted Hartree-Fock code in Python☆37Updated 7 years ago
- Coupled-cluster package written in Python.☆46Updated last month
- Solution of Hartree-Fock equations within Pople's STO-3G basis set☆40Updated 6 years ago
- eChem: Jupyter book on theoretical chemistry☆110Updated 2 months ago
- ☆53Updated this week
- ☆44Updated last year
- Course material for an undergraduate quantum chemistry lab class☆52Updated last year
- Python tools for automating routine tasks encountered when running quantum chemistry computations.☆53Updated last week
- A program implementing the Hartree–Fock (also post-HF: MP2, CCSD(T), CIS and TDHF/RPA)/self-consistent field method (also DIIS) with Gaus…☆67Updated last month
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆43Updated last month
- The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of mole…☆76Updated 7 months ago
- Crawford's Quantum Chemistry Exercises by Python approach☆32Updated 3 years ago
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆84Updated last year
- Python interface for Q-Chem☆24Updated 3 months ago
- Tutorials showcasing various capabilities of Libra☆24Updated 2 weeks ago
- HORTON: Helpful Open-source Research TOol for N-fermion systems☆99Updated 10 months ago
- Orbital transfer and automatic multi-reference calculation for quantum chemistry☆63Updated this week
- A Quantum Chemistry program written in Python 3 supporting RHF, UHF, TDHF, CIS, MP2, DFT, CCSD and CCSD(T) methods.☆69Updated 4 years ago
- Document and code of python and PySCF approach XYG3 type of density functional 2nd-derivative realization☆67Updated 4 months ago
- Full public release of large scale and linear scaling DFT code CONQUEST☆115Updated 2 weeks ago
- Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.☆35Updated last month
- ASE density-functional tight-binding calculator☆68Updated 11 months ago
- ☆23Updated 5 months ago