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Physical Chemistry Chemical Physics : PCCP
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September 12, 2024
Partial density of states representation for accurate deep neural network predictions of X-ray spectra
Clelia Middleton, Basile F E Curchod, Thomas J Penfold
The Journal of Physical Chemistry. A
|
December 16, 2016
Ab Initio Multiple Spawning Photochemical Dynamics of DMABN Using GPUs
Basile F E Curchod, Aaron Sisto, Todd J Martínez
The Journal of Physical Chemistry. A
|
February 14, 2022
A Photochemical Reaction in Different Theoretical Representations
Lea M Ibele, Basile F E Curchod, Federica Agostini
Angewandte Chemie (International Ed. in English)
|
October 27, 2016
Rich Athermal Ground-State Chemistry Triggered by Dynamics through a Conical Intersection
Benoit Mignolet, Basile F E Curchod, Todd J Martínez
The Journal of Chemical Physics
|
November 24, 2016
Communication: XFAIMS-eXternal Field Ab Initio Multiple Spawning for electron-nuclear dynamics triggered by short laser pulses
Benoit Mignolet, Basile F E Curchod, Todd J Martínez
The Journal of Physical Chemistry. A
|
June 26, 2024
On the Topological Phase around Conical Intersections with Tamm-Dancoff Linear-Response Time-Dependent Density Functional Theory
Jack T Taylor, David J Tozer, Basile F E Curchod
The Journal of Physical Chemistry Letters
|
June 9, 2016
GPU-Accelerated State-Averaged Complete Active Space Self-Consistent Field Interfaced with Ab Initio Multiple Spawning Unravels the Photodynamics of Provitamin D3
James W Snyder, Basile F E Curchod, Todd J Martínez
The Journal of Physical Chemistry. A
|
June 26, 2020
SSAIMS-Stochastic-Selection <i>Ab Initio</i> Multiple Spawning for Efficient Nonadiabatic Molecular Dynamics
Basile F E Curchod, William J Glover, Todd J Martínez
The Journal of Chemical Physics
|
May 15, 2025
On the connection between the exact factorization and the Born-Huang representation of the molecular wavefunction
Peter Schürger, Yorick Lassmann, Federica Agostini, et al.
The Journal of Chemical Physics
|
July 25, 2016
An exact factorization perspective on quantum interferences in nonadiabatic dynamics
Basile F E Curchod, Federica Agostini, E K U Gross
Page
of 11
Search research articles
Search
Showing results (31-40 of 101) with videos related to
Sort By:
Page
of 11
Physical Chemistry Chemical Physics : PCCP
|
September 12, 2024
Partial density of states representation for accurate deep neural network predictions of X-ray spectra
Clelia Middleton, Basile F E Curchod, Thomas J Penfold
The Journal of Physical Chemistry. A
|
December 16, 2016
Ab Initio Multiple Spawning Photochemical Dynamics of DMABN Using GPUs
Basile F E Curchod, Aaron Sisto, Todd J Martínez
The Journal of Physical Chemistry. A
|
February 14, 2022
A Photochemical Reaction in Different Theoretical Representations
Lea M Ibele, Basile F E Curchod, Federica Agostini
Angewandte Chemie (International Ed. in English)
|
October 27, 2016
Rich Athermal Ground-State Chemistry Triggered by Dynamics through a Conical Intersection
Benoit Mignolet, Basile F E Curchod, Todd J Martínez
The Journal of Chemical Physics
|
November 24, 2016
Communication: XFAIMS-eXternal Field Ab Initio Multiple Spawning for electron-nuclear dynamics triggered by short laser pulses
Benoit Mignolet, Basile F E Curchod, Todd J Martínez
The Journal of Physical Chemistry. A
|
June 26, 2024
On the Topological Phase around Conical Intersections with Tamm-Dancoff Linear-Response Time-Dependent Density Functional Theory
Jack T Taylor, David J Tozer, Basile F E Curchod
The Journal of Physical Chemistry Letters
|
June 9, 2016
GPU-Accelerated State-Averaged Complete Active Space Self-Consistent Field Interfaced with Ab Initio Multiple Spawning Unravels the Photodynamics of Provitamin D3
James W Snyder, Basile F E Curchod, Todd J Martínez
The Journal of Physical Chemistry. A
|
June 26, 2020
SSAIMS-Stochastic-Selection <i>Ab Initio</i> Multiple Spawning for Efficient Nonadiabatic Molecular Dynamics
Basile F E Curchod, William J Glover, Todd J Martínez
The Journal of Chemical Physics
|
May 15, 2025
On the connection between the exact factorization and the Born-Huang representation of the molecular wavefunction
Peter Schürger, Yorick Lassmann, Federica Agostini, et al.
The Journal of Chemical Physics
|
July 25, 2016
An exact factorization perspective on quantum interferences in nonadiabatic dynamics
Basile F E Curchod, Federica Agostini, E K U Gross
Page
of 11