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The Journal of Chemical Physics
|
August 6, 2020
Sampling mobility profiles of confined fluids with equilibrium molecular dynamics simulations
Etienne Mangaud, Benjamin Rotenberg
The Journal of Physical Chemistry. A
|
June 19, 2026
Simulating Steady-State Spectra of Acrolein while Accounting for Nuclear Quantum Effects
Mukul Dhiman, Isabelle Navizet, Simon Huppert, et al.
The Journal of Chemical Physics
|
February 2, 2022
Chemisorbed vs physisorbed surface charge and its impact on electrokinetic transport: Carbon vs boron nitride surface
Etienne Mangaud, Marie-Laure Bocquet, Lydéric Bocquet, et al.
The Journal of Chemical Physics
|
January 3, 2020
Statistical distributions of the tuning and coupling collective modes at a conical intersection using the hierarchical equations of motion
Etienne Mangaud, Benjamin Lasorne, Osman Atabek, et al.
The Journal of Chemical Physics
|
July 23, 2021
Funneling dynamics in a phenylacetylene trimer: Coherent excitation of donor excitonic states and their superposition
Gabriel Breuil, Etienne Mangaud, Benjamin Lasorne, et al.
The Journal of Chemical Physics
|
February 12, 2015
Exciton dissociation at donor-acceptor heterojunctions: dynamics using the collective effective mode representation of the spin-boson model
Aurélie Chenel, Etienne Mangaud, Irene Burghardt, et al.
The Journal of Chemical Physics
|
July 1, 2026
Revisiting crossed-correlated baths in open quantum systems simulated by HEOM or T-TEDOPA
Brieuc Le Dé, Etienne Mangaud, Alex W Chin, et al.
Journal of Chemical Theory and Computation
|
April 3, 2019
The Fluctuation-Dissipation Theorem as a Diagnosis and Cure for Zero-Point Energy Leakage in Quantum Thermal Bath Simulations
Etienne Mangaud, Simon Huppert, Thomas Plé, et al.
Physical Review Letters
|
October 6, 2023
When Quantum Fluctuations Meet Structural Instabilities: The Isotope- and Pressure-Induced Phase Transition in the Quantum Paraelectric NaOH
Sofiane Schaack, Etienne Mangaud, Erika Fallacara, et al.
The Journal of Chemical Physics
|
June 24, 2024
Managing temperature in open quantum systems strongly coupled with structured environments
Brieuc Le Dé, Amine Jaouadi, Etienne Mangaud, et al.
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of 2
Search research articles
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Showing results (1-10 of 12) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
August 6, 2020
Sampling mobility profiles of confined fluids with equilibrium molecular dynamics simulations
Etienne Mangaud, Benjamin Rotenberg
The Journal of Physical Chemistry. A
|
June 19, 2026
Simulating Steady-State Spectra of Acrolein while Accounting for Nuclear Quantum Effects
Mukul Dhiman, Isabelle Navizet, Simon Huppert, et al.
The Journal of Chemical Physics
|
February 2, 2022
Chemisorbed vs physisorbed surface charge and its impact on electrokinetic transport: Carbon vs boron nitride surface
Etienne Mangaud, Marie-Laure Bocquet, Lydéric Bocquet, et al.
The Journal of Chemical Physics
|
January 3, 2020
Statistical distributions of the tuning and coupling collective modes at a conical intersection using the hierarchical equations of motion
Etienne Mangaud, Benjamin Lasorne, Osman Atabek, et al.
The Journal of Chemical Physics
|
July 23, 2021
Funneling dynamics in a phenylacetylene trimer: Coherent excitation of donor excitonic states and their superposition
Gabriel Breuil, Etienne Mangaud, Benjamin Lasorne, et al.
The Journal of Chemical Physics
|
February 12, 2015
Exciton dissociation at donor-acceptor heterojunctions: dynamics using the collective effective mode representation of the spin-boson model
Aurélie Chenel, Etienne Mangaud, Irene Burghardt, et al.
The Journal of Chemical Physics
|
July 1, 2026
Revisiting crossed-correlated baths in open quantum systems simulated by HEOM or T-TEDOPA
Brieuc Le Dé, Etienne Mangaud, Alex W Chin, et al.
Journal of Chemical Theory and Computation
|
April 3, 2019
The Fluctuation-Dissipation Theorem as a Diagnosis and Cure for Zero-Point Energy Leakage in Quantum Thermal Bath Simulations
Etienne Mangaud, Simon Huppert, Thomas Plé, et al.
Physical Review Letters
|
October 6, 2023
When Quantum Fluctuations Meet Structural Instabilities: The Isotope- and Pressure-Induced Phase Transition in the Quantum Paraelectric NaOH
Sofiane Schaack, Etienne Mangaud, Erika Fallacara, et al.
The Journal of Chemical Physics
|
June 24, 2024
Managing temperature in open quantum systems strongly coupled with structured environments
Brieuc Le Dé, Amine Jaouadi, Etienne Mangaud, et al.
Page
of 2