Sebastian Mai

OpenMolcas: From Source Code to Insight

Ignacio Fdez. Galván, Morgane Vacher, Ali Alavi et al. · Journal of Chemical Theory and Computation · 2019 · 1.1K citations · Full text

Natural Sciences, Chemistry, Physics +17

The OpenMolcas <i>Web</i> : A Community-Driven Approach to Advancing Computational Chemistry

Giovanni Li Manni, Ignacio Fdez. Galván, Ali Alavi et al. · Journal of Chemical Theory and Computation · 2023 · 342 citations · Full text

Natural Sciences, Chemistry, Computational Chemistry +15

Efficient and Flexible Computation of Many-Electron Wave Function Overlaps

Felix Plasser, Matthias Ruckenbauer, Sebastian Mai et al. · Journal of Chemical Theory and Computation · 2016 · 219 citations · Full text

Natural Sciences, Chemistry, Physics +17

The origin of efficient triplet state population in sulfur-substituted nucleobases

Sebastian Mai, Marvin Pollum, Lara Martínez‐Fernández et al. · Nature Communications · 2016 · 203 citations · Full text

Natural Sciences, Biochemistry, Chemistry +16

Highly efficient surface hopping dynamics using a linear vibronic coupling model

Felix Plasser, Sandra Gómez, Maximilian F. S. J. Menger et al. · Physical Chemistry Chemical Physics · 2018 · 136 citations · Full text

Natural Sciences, Chemistry, Physics +17