Course material for an undergraduate quantum chemistry lab class
☆56Aug 28, 2024Updated last year
Alternatives and similar repositories for Course-QuantumChemistryLab
Users that are interested in Course-QuantumChemistryLab are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Notes on Electronic Structure Theory (CHEM532)☆25Feb 14, 2025Updated last year
- CHEM331 - Physical Chemistry I☆11Dec 4, 2017Updated 8 years ago
- Repository for 2022 Summer DFT for Catalysis i-CoMSE workshop☆14Jul 13, 2023Updated 3 years ago
- A Python script for rendering cube files generated by Psi4☆19Mar 30, 2025Updated last year
- Library for local orbital scaling correction (LOSC).☆19Jul 4, 2024Updated 2 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Resources for teaching quantum chemistry courses in Bonn☆42Jul 20, 2026Updated 3 weeks ago
- Tutorials showcasing various capabilities of Libra☆28Aug 3, 2026Updated last week
- PyHEOM: Python 3 library to simulate open quantum dynamics based on HEOM theory☆16Jun 11, 2026Updated 2 months ago
- Programing and Data Analysis for Modern Neuroscience - Spring 2020☆12Oct 19, 2020Updated 5 years ago
- SOC integrals generator with atomic mean field approximation☆11Apr 26, 2026Updated 3 months ago
- Machine-learning quantum mechanics☆10Sep 17, 2020Updated 5 years ago
- ☆14Sep 18, 2023Updated 2 years ago
- Repository for material from the 2022 MC/MD Summer Workshop☆14Jul 12, 2024Updated 2 years ago
- A fast domain decomposition based implementation of the COSMO solvation model☆16Jun 15, 2020Updated 6 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- In-Class/Active-Learning Exercises for Quantum Chemistry☆17Aug 13, 2018Updated 7 years ago
- A C++ library for evaluating non-orthogonal matrix elements in electronic structure☆28Feb 19, 2025Updated last year
- Libint2 interface to Julia☆14Sep 10, 2020Updated 5 years ago
- Program for simulating time evolution in quantum systems using the MCTDHF method.☆17Nov 26, 2017Updated 8 years ago
- An implementation of the Three-Legged Tree Tensor Network algorithm☆15Sep 15, 2021Updated 4 years ago
- An interactive structure viewer alongside its simulated diffraction pattern☆19Jul 13, 2026Updated 3 weeks ago
- n2v: Density-to-potential Inversion Suite☆24Aug 29, 2022Updated 3 years ago
- Quantum Chemistry course resources available on github and other platforms☆54Jan 31, 2024Updated 2 years ago
- Learning Machine Learning☆14Aug 24, 2023Updated 2 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- ☆19Updated this week
- Lennard-Jones Molecular Dynamics for beginners☆15Sep 20, 2021Updated 4 years ago
- eChem: Jupyter book on theoretical chemistry☆114Jun 22, 2026Updated last month
- ☆16Dec 17, 2024Updated last year
- Teaching Utility for Classical Atomistic Simulation.☆31Aug 8, 2024Updated 2 years ago
- MOHA: MOlecular HAmiltonian☆15May 31, 2026Updated 2 months ago
- ☆15Feb 20, 2025Updated last year
- A simple cube file viewer based on pythreejs☆24Apr 15, 2026Updated 3 months ago
- A library of density matrix embedding theory (DMET).☆43Jan 26, 2025Updated last year
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules☆58Jul 30, 2026Updated last week
- TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis☆42Updated this week
- Computational Chemistry Input Generator☆52Jun 11, 2026Updated last month
- Implementation of sparse Pauli dynamics in Python☆16Jun 25, 2026Updated last month
- Materials for 0.5-day MDAnalysis workshops☆14Jul 25, 2025Updated last year
- Python bindings for TBLIS☆19Mar 9, 2026Updated 5 months ago
- ☆10Updated this week