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The Journal of Physical Chemistry Letters
|
August 26, 2025
Molecular Dynamics of the Ultrafast Excited-State Proton Transfer of the Super-Photoacid NM7HQ<sup>+</sup> to the Aprotic Solvent DMSO
Niklas Sülzner, Rafael Souza Mattos, Mario Barbatti
Journal of Chemical Theory and Computation
|
March 3, 2025
Legion: A Platform for Gaussian Wavepacket Nonadiabatic Dynamics
Rafael Souza Mattos, Saikat Mukherjee, Mario Barbatti
Journal of Chemical Theory and Computation
|
November 11, 2025
MELTS: Fully Automated Active Learning for Fewest-Switches Surface Hopping Dynamics
Matheus de Oliveira Bispo, Rafael Souza Mattos, Max Pinheiro, et al.
Journal of Chemical Theory and Computation
|
October 18, 2025
A Density Functional Theory and Semiempirical Framework for Trajectory Surface Hopping on Extended Systems
Jan-Robert Vogt, Michael Schulz, Rafael Souza Mattos, et al.
Journal of Chemical Theory and Computation
|
December 31, 2025
Surface Hopping with Fully Correlated Methods
Ely G F de Miranda, Rafael Souza Mattos, Saikat Mukherjee, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 5) with videos related to
Sort By:
Page
of 1
The Journal of Physical Chemistry Letters
|
August 26, 2025
Molecular Dynamics of the Ultrafast Excited-State Proton Transfer of the Super-Photoacid NM7HQ<sup>+</sup> to the Aprotic Solvent DMSO
Niklas Sülzner, Rafael Souza Mattos, Mario Barbatti
Journal of Chemical Theory and Computation
|
March 3, 2025
Legion: A Platform for Gaussian Wavepacket Nonadiabatic Dynamics
Rafael Souza Mattos, Saikat Mukherjee, Mario Barbatti
Journal of Chemical Theory and Computation
|
November 11, 2025
MELTS: Fully Automated Active Learning for Fewest-Switches Surface Hopping Dynamics
Matheus de Oliveira Bispo, Rafael Souza Mattos, Max Pinheiro, et al.
Journal of Chemical Theory and Computation
|
October 18, 2025
A Density Functional Theory and Semiempirical Framework for Trajectory Surface Hopping on Extended Systems
Jan-Robert Vogt, Michael Schulz, Rafael Souza Mattos, et al.
Journal of Chemical Theory and Computation
|
December 31, 2025
Surface Hopping with Fully Correlated Methods
Ely G F de Miranda, Rafael Souza Mattos, Saikat Mukherjee, et al.
Page
of 1