Michael A Robb

11PUBLICATIONS
11CO-AUTHORS
Transport properties and non-equilibrium processesRadiation and matterTheoretical quantum chemistryReaction kinetics and dynamicsElectrical energy generation (incl. renewables, excl. photovoltaics)
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Publications (11)

|Oct 23, 2026
Real-Time CASSCF Ehrenfest (TD-CASSCF) Modeling of Spintronics in a Tetrathiafulvalene-Based Nitronyl Nitroxide (BTBN) Model: The Competition between Charge Transfer and Spin Permutation.

|Oct 07, 2026
Natural and engineered charge-transfer and diradical state mixing and retinal chromophore dynamics.

|Jan 11, 2025
Coherent Excitation of the CH Stretching Vibrations in C2H4 +: The Role of the Derivative Coupling Studied by the Quantum Ehrenfest Method.

Thierry Tran, Graham A Worth, Michael A Robb

|Nov 27, 2024
Real-Time CASSCF (Ehrenfest) Modeling of Electron Dynamics in Organic Semiconductors. Dynamics Reaction Paths Driven by Quantum Coherences. Application to a Radical Organic Semiconductor.

Mercè Deumal, Jordi Ribas-Ariño, Cristina Roncero

|Jun 25, 2024
Controlling Electronic Coherences and the Curvature Induced by the Derivative Coupling at a Conical Intersection: A Quantum Ehrenfest (QuEh) Protocol for Reaction Path Following Application to "Channel 3" Benzene Photochemistry.

Graham A Worth, Michael A Robb

|Jun 26, 2023
Coherent Mixing of Singlet and Triplet States in Acrolein and Ketene: A Computational Strategy for Simulating the Electron-Nuclear Dynamics of Intersystem Crossing.

Don Danilov, Andrew J Jenkins, Michael J Bearpark

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Frequent Collaborators

6 joint publications

Graham A Worth

3 joint publications

Thierry Tran

2 joint publications

Massimo Olivucci

2 joint publications

Don Danilov