M.V. Sokolov

Benchmark and performance of long-range corrected time-dependent density functional tight binding (LC-TD-DFTB) on rhodopsins and light-harvesting complexes

Beatrix M. Bold, M.V. Sokolov, Sayan Maity et al. · Physical Chemistry Chemical Physics · 2020 · 60 citations · Full text

DFTB/MM Molecular Dynamics Simulations of the FMO Light-Harvesting Complex

Sayan Maity, Beatrix M. Bold, Jigneshkumar Dahyabhai Prajapati et al. · The Journal of Physical Chemistry Letters · 2020 · 60 citations

Analytical Time-Dependent Long-Range Corrected Density Functional Tight Binding (TD-LC-DFTB) Gradients in DFTB+: Implementation and Benchmark for Excited-State Geometries and Transition Energies

M.V. Sokolov, Beatrix M. Bold, Julian Kranz et al. · Journal of Chemical Theory and Computation · 2021 · 29 citations

Application of commercially available fluorophores as triplet spin probes in EPR spectroscopy

Kerstin Serrer, Clemens Matt, M.V. Sokolov et al. · Molecular Physics · 2019 · 16 citations · Full text