The source of the votca-csg and xtp packages
molecular-dynamics
coarse-grained-molecular-dynamics
gromacs
multiscale-simulation
coarse-graining
votca
gw-bse
excited-states
charge-transport
-
Updated
Jun 13, 2024 - C++
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gw-bse
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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
computational-chemistry
computational-physics
quantum-chemistry
multiscale-simulation
gw-bse
quantum-classical
excited-states
-
Updated
Sep 28, 2021
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