Atomistic modeling of the biological pigment protein complexes consisting of molecular dynamics simulations (AMBER), computing ground and excited state properties of molecules and molecular aggregates including the effects of the environment (Gaussian, PyScf) and simulating excitation dynamics and optical spectra using quantum master equation approaches (Quantarhei).

Atomistic modeling of the biological pigment protein complexes consisting of molecular dynamics simulations (AMBER), computing ground and excited state properties of molecules and molecular aggregates including the effects of the environment (Gaussian, PyScf) and simulating excitation dynamics and optical spectra using quantum master equation approaches (Quantarhei).