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Mario Barbatti

Showing results (121-130 of 158) with videos related to

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Journal of Chemical Theory and Computation|December 16, 2024
Assessing Nonadiabatic Dynamics Methods in Long TimescalesSaikat Mukherjee, Yorick Lassmann, Rafael S Mattos, et al.
The Journal of Physical Chemistry. A|May 10, 2011
Nonadiabatic dynamics of uracil: population split among different decay mechanismsDana Nachtigallová, Adélia J A Aquino, Jaroslaw J Szymczak, et al.
Molecules (Basel, Switzerland)|November 26, 2016
New Insights into the State Trapping of UV-Excited ThymineLjiljana Stojanović, Shuming Bai, Jayashree Nagesh, et al.
The Journal of Physical Chemistry Letters|November 3, 2025
A Descriptor Is All You Need: Accurate Machine Learning of Nonadiabatic Coupling VectorsJakub Martinka, Lina Zhang, Yi-Fan Hou, et al.
The Journal of Physical Chemistry. A|December 17, 2024
Spectroscopy and Excited-State Dynamics of Methyl Ferulate in Molecular BeamsIvan Romanov, Yorrick Boeije, Josene M Toldo, et al.
Npj Computational Materials|May 16, 2025
Charting electronic-state manifolds across molecules with multi-state learning and gap-driven dynamics via efficient and robust active learningMikołaj Martyka, Lina Zhang, Fuchun Ge, et al.
Physical Chemistry Chemical Physics : PCCP|June 15, 2022
Correction: Modeling the heating and cooling of a chromophore after photoexcitationElizete Ventura, Silmar Andrade do Monte, Mariana T do Casal, et al.
Topics in Current Chemistry (Cham)|June 8, 2021
MLatom 2: An Integrative Platform for Atomistic Machine LearningPavlo O Dral, Fuchun Ge, Bao-Xin Xue, et al.
Physical Chemistry Chemical Physics : PCCP|April 6, 2022
Modeling the heating and cooling of a chromophore after photoexcitationElizete Ventura, Silmar Andrade do Monte, Mariana T do Casal, et al.
Journal of Chemical Theory and Computation|November 11, 2025
MELTS: Fully Automated Active Learning for Fewest-Switches Surface Hopping DynamicsMatheus de Oliveira Bispo, Rafael Souza Mattos, Max Pinheiro, et al.
Pageof 16

Showing results (121-130 of 158) with videos related to

Sort By:
Pageof 16
Journal of Chemical Theory and Computation|December 16, 2024
Assessing Nonadiabatic Dynamics Methods in Long TimescalesSaikat Mukherjee, Yorick Lassmann, Rafael S Mattos, et al.
The Journal of Physical Chemistry. A|May 10, 2011
Nonadiabatic dynamics of uracil: population split among different decay mechanismsDana Nachtigallová, Adélia J A Aquino, Jaroslaw J Szymczak, et al.
Molecules (Basel, Switzerland)|November 26, 2016
New Insights into the State Trapping of UV-Excited ThymineLjiljana Stojanović, Shuming Bai, Jayashree Nagesh, et al.
The Journal of Physical Chemistry Letters|November 3, 2025
A Descriptor Is All You Need: Accurate Machine Learning of Nonadiabatic Coupling VectorsJakub Martinka, Lina Zhang, Yi-Fan Hou, et al.
The Journal of Physical Chemistry. A|December 17, 2024
Spectroscopy and Excited-State Dynamics of Methyl Ferulate in Molecular BeamsIvan Romanov, Yorrick Boeije, Josene M Toldo, et al.
Npj Computational Materials|May 16, 2025
Charting electronic-state manifolds across molecules with multi-state learning and gap-driven dynamics via efficient and robust active learningMikołaj Martyka, Lina Zhang, Fuchun Ge, et al.
Physical Chemistry Chemical Physics : PCCP|June 15, 2022
Correction: Modeling the heating and cooling of a chromophore after photoexcitationElizete Ventura, Silmar Andrade do Monte, Mariana T do Casal, et al.
Topics in Current Chemistry (Cham)|June 8, 2021
MLatom 2: An Integrative Platform for Atomistic Machine LearningPavlo O Dral, Fuchun Ge, Bao-Xin Xue, et al.
Physical Chemistry Chemical Physics : PCCP|April 6, 2022
Modeling the heating and cooling of a chromophore after photoexcitationElizete Ventura, Silmar Andrade do Monte, Mariana T do Casal, et al.
Journal of Chemical Theory and Computation|November 11, 2025
MELTS: Fully Automated Active Learning for Fewest-Switches Surface Hopping DynamicsMatheus de Oliveira Bispo, Rafael Souza Mattos, Max Pinheiro, et al.
Pageof 16