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Brigitta Bachmair

Showing results (1-10 of 6) with videos related to

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Physical Chemistry Chemical Physics : PCCP|April 3, 2025
Revisiting the intricate photodissociation mechanism of ammonia along the minor NH + H<sub>2</sub> pathwayBrigitta Bachmair, Johannes C B Dietschreit, Leticia González
Journal of Chemical Theory and Computation|October 3, 2023
LVC/MM: A Hybrid Linear Vibronic Coupling/Molecular Mechanics Model with Distributed Multipole-Based Electrostatic Embedding for Highly Efficient Surface Hopping Dynamics in SolutionSeverin Polonius, Oleksandra Zhuravel, Brigitta Bachmair, et al.
The Journal of Physical Chemistry Letters|May 13, 2026
NATPS: Nonadiabatic Transition Path Sampling Using the Time-Reversible Mapping Approach to Surface HoppingXiran Yang, Madlen Maria Reiner, Brigitta Bachmair, et al.
Journal of Chemical Theory and Computation|March 1, 2023
Nonadiabatic Forward Flux Sampling for Excited-State Rare EventsMadlen Maria Reiner, Brigitta Bachmair, Maximilian Xaver Tiefenbacher, et al.
Digital Discovery|May 12, 2025
Excited-state nonadiabatic dynamics in explicit solvent using machine learned interatomic potentialsMaximilian X Tiefenbacher, Brigitta Bachmair, Cheng Giuseppe Chen, et al.
Chemical Science|September 17, 2025
Machine learning for nonadiabatic molecular dynamics: best practices and recent progressCarolin Müller, Štěpán Sršeň, Brigitta Bachmair, et al.
Pageof 1

Showing results (1-10 of 6) with videos related to

Sort By:
Pageof 1
Physical Chemistry Chemical Physics : PCCP|April 3, 2025
Revisiting the intricate photodissociation mechanism of ammonia along the minor NH + H<sub>2</sub> pathwayBrigitta Bachmair, Johannes C B Dietschreit, Leticia González
Journal of Chemical Theory and Computation|October 3, 2023
LVC/MM: A Hybrid Linear Vibronic Coupling/Molecular Mechanics Model with Distributed Multipole-Based Electrostatic Embedding for Highly Efficient Surface Hopping Dynamics in SolutionSeverin Polonius, Oleksandra Zhuravel, Brigitta Bachmair, et al.
The Journal of Physical Chemistry Letters|May 13, 2026
NATPS: Nonadiabatic Transition Path Sampling Using the Time-Reversible Mapping Approach to Surface HoppingXiran Yang, Madlen Maria Reiner, Brigitta Bachmair, et al.
Journal of Chemical Theory and Computation|March 1, 2023
Nonadiabatic Forward Flux Sampling for Excited-State Rare EventsMadlen Maria Reiner, Brigitta Bachmair, Maximilian Xaver Tiefenbacher, et al.
Digital Discovery|May 12, 2025
Excited-state nonadiabatic dynamics in explicit solvent using machine learned interatomic potentialsMaximilian X Tiefenbacher, Brigitta Bachmair, Cheng Giuseppe Chen, et al.
Chemical Science|September 17, 2025
Machine learning for nonadiabatic molecular dynamics: best practices and recent progressCarolin Müller, Štěpán Sršeň, Brigitta Bachmair, et al.
Pageof 1