Sebastian Mai

43PUBLICATIONS
150CO-AUTHORS
Theoretical quantum chemistrySurface properties of condensed matterCatalysis and mechanisms of reactionsElectronic and magnetic properties of condensed matter; superconductivityChemical thermodynamics and energetics
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Publications (43)

|Jun 26, 2026
Umbrella Sampling for Excited States Using a Semiempirical Method.

|Jun 23, 2026
The entropic barrier around the conical intersection seam.

|Apr 17, 2026
Oxidation State Determines Solvent Structure Around a Manganese-Vanadium Polyoxometalate Water-Oxidation Catalyst.

|Apr 01, 2026
Elucidating the Transition Kernel and Anharmonic Coupling in the Spin-crossover Process of a [Fe<sup>III</sup>(qsal)<sub>2</sub>] CH<sub>3</sub>OSO<sub>3</sub> Complex.

Soumyajit Mitra, Dilara Farkhutdinova, Sebastian Mai

|Dec 08, 2025
An Excitation Strategy for the Initial Condition Generation for Surface Hopping Trajectories Using Electron-Only Dynamics Including Explicit Laser Pulses.

Lorenz Grünewald, Laurens van Dam, Sebastian Mai

|Nov 24, 2025
Probing Optical Magnetic Dipole Transitions in Eu<sup>3+</sup> Using Structured Light and Nanoscale Sample Engineering.

Elizaveta Gangrskaia, Thomas Schachinger, Christoph Eisenmenger-Sittner

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Frequent Collaborators

34 joint publications

Leticia González

6 joint publications

Philipp Marquetand

6 joint publications

Severin Polonius

4 joint publications

Antonio Carlos Borin