3 open source projects by votca

Coarse-graining potentials from atomistic references made easy

✭ 26

The source of the votca-csg and xtp packages

✭ 28

C++JetBrains MPS Objective-C++shell CMake python molecular-dynamics coarse-grained-molecular-dynamics gromacs multiscale-simulation coarse-graining votca gw-bse excited-states charge-transport

3. xtp

GW-BSE for excited state Quantum Chemistry in a Gaussian Orbital basis, electronic spectroscopy with QM/MM, charge and energy dynamics in complex molecular systems

✭ 26

computational-chemistry computational-physics quantum-chemistry multiscale-simulation gw-bse quantum-classical excited-states

1-3 of 3 user projects