Michael Thoss

University of Freiburg — Germany

Engineering · Physical Sciences

11h-index1.6kcitations37works1.42yr avg
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Research Topics

Molecular Junctions and Nanostructures(9), Crystallization and Solubility Studies(9), X-ray Diffraction in Crystallography(9), Advanced Chemical Physics Studies(8), Spectroscopy and Quantum Chemical Studies(7)

Publications37 total

Unraveling Charge and Energy Transfer in a Singlet Fission Donor–Acceptor Complex: An <i>Ab Initio</i> Quantum Dynamical Study
Journal of Chemical Theory and Computation·2026Open Access
Vibrational Instabilities in Charge Transport through Molecular Nanojunctions: The Role of Anharmonic Nuclear Potentials
ArXiv.org·2026Open Access
Vibrational Instabilities in Charge Transport through Molecular Nanojunctions: The Role of Anharmonic Nuclear Potentials
arXiv (Cornell University)·2026Open Access
Quantum Otto cycle in the Anderson impurity model
arXiv (Cornell University)·2026Open Access
Quantum Otto cycle in the Anderson impurity model
ArXiv.org·2026Open Access
A Haldane–Anderson Hamiltonian model for hyperthermal hydrogen scattering from a semiconductor surface
The Journal of Chemical Physics·2026· 1 citedOpen Access
Unraveling Exciton Trap Dynamics and Nonradiative Loss Pathways in Quantum Dots via Atomistic Simulations
ACS Nano·2025· 1 citedOpen Access
Unraveling Exciton Trap Dynamics and Nonradiative Loss Pathways in Quantum Dots via Atomistic Simulations
arXiv (Cornell University)·2025Open Access
Role of Superlattice Phonons in Charge Localization Across Quantum Dot Arrays
ACS Nano·2025· 2 citedOpen Access
Nonadiabatic Quantum Dynamics of Molecules Scattering from Metal Surfaces
Journal of Chemical Theory and Computation·2025· 10 citedOpen Access
Role of the Radical Character in Singlet Fission: An Ab Initio and Quantum Chemical Topology Analysis
The Journal of Physical Chemistry A·2024· 2 cited
Spin Mixing in Intramolecular Singlet Fission: A First-Principles-Based Quantum Dynamical Study
The Journal of Physical Chemistry Letters·2024· 2 cited
Quantum thermodynamics of the spin-boson model using the principle of minimal dissipation
Physical review. A/Physical review, A·2024· 4 cited
Influence of Nonequilibrium Vibrational Dynamics on Spin Selectivity in Chiral Molecular Junctions
arXiv (Cornell University)·2024Open Access
High voltage rock’n’roll – A complex approach to protein electron transfer far from equilibrium
Biochimica et Biophysica Acta (BBA) - Bioenergetics·2024
Biological charge transfer far from equilibrium: electron migration and entropically driven proton dislocation
Biochimica et Biophysica Acta (BBA) - Bioenergetics·2024
Parallel versus Twisted Pentacenes: Conformational Impact on Singlet Fission
The Journal of Physical Chemistry Letters·2022· 18 cited
Efficient Steady-State Solver for the Hierarchical Equations of Motion Approach: Formulation and Application to Charge Transport through Nanosystems
The Journal of Physical Chemistry A·2021· 12 citedOpen Access
Universal approach to quantum thermodynamics of strongly coupled systems under nonequilibrium conditions and external driving
Physical review. B./Physical review. B·2020· 24 citedOpen Access
CCDC 1503240: Experimental Crystal Structure Determination
The Cambridge Structural Database·2019Open Access
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Frequent Co-authors

Pedro B. Coto(11), Rik R. Tykwinski(8), Dirk M. Guldi(8), Johannes Zirzlmeier(7), S. Rajagopala Reddy(7), Samuel L. Rudge(7), Martin Feigel(6), Rubén Casillas(5), Salvatore Gatto(5), Dan Lehnherr(4), Frank Hampel(4), R.W. Seidel(4), Gerhard Stock(3), Erin T. Chernick(3), Bettina S. Basel(3), Ilias Papadopoulos(3), Christoph Kaspar(3), Alessandra Colla(3), Heinz‐Peter Breuer(3), Bokang Hou(3)