Brigitta Bachmair

6PUBLICATIONS
19CO-AUTHORS
Reaction kinetics and dynamicsTheory and design of materialsTheoretical quantum chemistryNonlinear optics and spectroscopyMicroelectromechanical systems (MEMS)
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Publications (6)

|May 13, 2026
NATPS: Nonadiabatic Transition Path Sampling Using the Time-Reversible Mapping Approach to Surface Hopping.

|Sep 17, 2025
Machine learning for nonadiabatic molecular dynamics: best practices and recent progress.

Carolin Müller, Štěpán Sršeň, Brigitta Bachmair

|May 12, 2025
Excited-state nonadiabatic dynamics in explicit solvent using machine learned interatomic potentials.

Maximilian X Tiefenbacher, Brigitta Bachmair, Cheng Giuseppe Chen

|Apr 03, 2025
Revisiting the intricate photodissociation mechanism of ammonia along the minor NH + H2 pathway.

Brigitta Bachmair, Johannes C B Dietschreit, Leticia González

|Oct 03, 2023
LVC/MM: A Hybrid Linear Vibronic Coupling/Molecular Mechanics Model with Distributed Multipole-Based Electrostatic Embedding for Highly Efficient Surface Hopping Dynamics in Solution.

Severin Polonius, Oleksandra Zhuravel, Brigitta Bachmair

|Mar 01, 2023
Nonadiabatic Forward Flux Sampling for Excited-State Rare Events.

Madlen Maria Reiner, Brigitta Bachmair, Maximilian Xaver Tiefenbacher

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Frequent Collaborators

4 joint publications

Leticia González

3 joint publications

Johannes C B Dietschreit

2 joint publications

Madlen Maria Reiner

2 joint publications

Maximilian Xaver Tiefenbacher