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Journal of Chemical Theory and Computation
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September 10, 2025
Efficient, Hierarchical, and Object-Oriented Electronic Structure Interfaces for Direct Nonadiabatic Dynamics Simulations
Sascha Mausenberger, Severin Polonius, Sebastian Mai, et al.
Chemical Science
|
September 16, 2024
SpaiNN: equivariant message passing for excited-state nonadiabatic molecular dynamics
Sascha Mausenberger, Carolin Müller, Alexandre Tkatchenko, et al.
Chemical Science
|
September 17, 2025
Machine learning for nonadiabatic molecular dynamics: best practices and recent progress
Carolin Müller, Štěpán Sršeň, Brigitta Bachmair, et al.
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Search research articles
Search
Showing results (1-10 of 3) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
September 10, 2025
Efficient, Hierarchical, and Object-Oriented Electronic Structure Interfaces for Direct Nonadiabatic Dynamics Simulations
Sascha Mausenberger, Severin Polonius, Sebastian Mai, et al.
Chemical Science
|
September 16, 2024
SpaiNN: equivariant message passing for excited-state nonadiabatic molecular dynamics
Sascha Mausenberger, Carolin Müller, Alexandre Tkatchenko, et al.
Chemical Science
|
September 17, 2025
Machine learning for nonadiabatic molecular dynamics: best practices and recent progress
Carolin Müller, Štěpán Sršeň, Brigitta Bachmair, et al.
Page
of 1