A program implementing the Hartree–Fock (also post-HF: MP2, CCSD(T), CIS...
Scientific Python package for solving Slater Koster tight-binding topolo...
ArtraCFD: A Computational Fluid Dynamics Solver
Simple and efficient Python package for modeling d-dimensional Bravais l...
A PyMOL plugin for visualizing vibrations in molecules and solids
Solution of Hartree-Fock equations within Pople's STO-3G basis set
GW-BSE for excited state Quantum Chemistry in a Gaussian Orbital basis, ...
Teaching Utility for Classical Atomistic Simulation.
A program implementing Metropolis Monte Carlo for the 2D square-lattice ...
Neural network based solvers for partial differential equations and inve...