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Top 3 multiscale-simulation open source projects

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

SCEMa

HMM implementation featuring Deal.II (FE) and LAMMPS (MD)

✭ 14

C++python Roff molecular-dynamics lammps dealii multiscale-simulation finite-element-methods

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 multiscale-simulation projects