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Journal of Chemical Theory and Computation
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January 30, 2023
Optimal Mode Combination in the Multiconfiguration Time-Dependent Hartree Method through Multivariate Statistics: Factor Analysis and Hierarchical Clustering
David Mendive-Tapia, Hans-Dieter Meyer, Oriol Vendrell
Journal of Chemical Theory and Computation
|
May 18, 2026
Enhancing Vibronic-Coupling Hamiltonian Parameterization with Machine Learning: The PyVCHAM Tool
Emilio Rodríguez-Cuenca, Alexander I Kuleff, Oriol Vendrell
The Journal of Chemical Physics
|
October 15, 2013
The multi-layer multi-configuration time-dependent Hartree method for bosons: theory, implementation, and applications
Lushuai Cao, Sven Krönke, Oriol Vendrell, et al.
Physical Review Letters
|
January 17, 2012
Ultrafast dynamics of photoionized acetylene
Mohamed El-Amine Madjet, Oriol Vendrell, Robin Santra
The Journal of Physical Chemistry. A
|
January 5, 2018
Challenges in XUV Photochemistry Simulations: A Case Study on Ultrafast Fragmentation Dynamics of the Benzene Radical Cation
Sophia Bazzi, Ralph Welsch, Oriol Vendrell, et al.
Journal of the American Chemical Society
|
March 16, 2006
Potential energy landscape of the photoinduced multiple proton-transfer process in the green fluorescent protein: classical molecular dynamics and multiconfigurational electronic structure calculations
Oriol Vendrell, Ricard Gelabert, Miquel Moreno, et al.
The Journal of Physical Chemistry Letters
|
December 11, 2023
Coupling Molecular Systems with Plasmonic Nanocavities: A Quantum Dynamics Approach
Zahra Jamshidi, Kimia Kargar, David Mendive-Tapia, et al.
Journal of Chemical Theory and Computation
|
December 5, 2015
A Potential Energy Function for Heterogeneous Proton-Wires. Ground and Photoactive States of the Proton-Wire in the Green Fluorescent Protein
Oriol Vendrell, Ricard Gelabert, Miquel Moreno, et al.
The Journal of Chemical Physics
|
November 21, 2007
Full-dimensional (15-dimensional) quantum-dynamical simulation of the protonated water dimer. I. Hamiltonian setup and analysis of the ground vibrational state
Oriol Vendrell, Fabien Gatti, David Lauvergnat, et al.
The Journal of Physical Chemistry. B
|
April 10, 2008
Operation of the proton wire in green fluorescent protein. A quantum dynamics simulation
Oriol Vendrell, Ricard Gelabert, Miquel Moreno, et al.
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of 8
Search research articles
Search
Showing results (41-50 of 76) with videos related to
Sort By:
Page
of 8
Journal of Chemical Theory and Computation
|
January 30, 2023
Optimal Mode Combination in the Multiconfiguration Time-Dependent Hartree Method through Multivariate Statistics: Factor Analysis and Hierarchical Clustering
David Mendive-Tapia, Hans-Dieter Meyer, Oriol Vendrell
Journal of Chemical Theory and Computation
|
May 18, 2026
Enhancing Vibronic-Coupling Hamiltonian Parameterization with Machine Learning: The PyVCHAM Tool
Emilio Rodríguez-Cuenca, Alexander I Kuleff, Oriol Vendrell
The Journal of Chemical Physics
|
October 15, 2013
The multi-layer multi-configuration time-dependent Hartree method for bosons: theory, implementation, and applications
Lushuai Cao, Sven Krönke, Oriol Vendrell, et al.
Physical Review Letters
|
January 17, 2012
Ultrafast dynamics of photoionized acetylene
Mohamed El-Amine Madjet, Oriol Vendrell, Robin Santra
The Journal of Physical Chemistry. A
|
January 5, 2018
Challenges in XUV Photochemistry Simulations: A Case Study on Ultrafast Fragmentation Dynamics of the Benzene Radical Cation
Sophia Bazzi, Ralph Welsch, Oriol Vendrell, et al.
Journal of the American Chemical Society
|
March 16, 2006
Potential energy landscape of the photoinduced multiple proton-transfer process in the green fluorescent protein: classical molecular dynamics and multiconfigurational electronic structure calculations
Oriol Vendrell, Ricard Gelabert, Miquel Moreno, et al.
The Journal of Physical Chemistry Letters
|
December 11, 2023
Coupling Molecular Systems with Plasmonic Nanocavities: A Quantum Dynamics Approach
Zahra Jamshidi, Kimia Kargar, David Mendive-Tapia, et al.
Journal of Chemical Theory and Computation
|
December 5, 2015
A Potential Energy Function for Heterogeneous Proton-Wires. Ground and Photoactive States of the Proton-Wire in the Green Fluorescent Protein
Oriol Vendrell, Ricard Gelabert, Miquel Moreno, et al.
The Journal of Chemical Physics
|
November 21, 2007
Full-dimensional (15-dimensional) quantum-dynamical simulation of the protonated water dimer. I. Hamiltonian setup and analysis of the ground vibrational state
Oriol Vendrell, Fabien Gatti, David Lauvergnat, et al.
The Journal of Physical Chemistry. B
|
April 10, 2008
Operation of the proton wire in green fluorescent protein. A quantum dynamics simulation
Oriol Vendrell, Ricard Gelabert, Miquel Moreno, et al.
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of 8