Suchergebnisse - "Mangaud, Etienne"

PubPharm (13)

1

When Quantum Fluctuations Meet Structural Instabilities : The Isotope- and Pressure-Induced Phase Transition in the Quantum Paraelectric NaOH

enthalten in: Physical review letters | 2023

von Schaack, S. | Mangaud, E. | Fallacara, E. | +3

2

Survey of the Hierarchical Equations of Motion in Tensor-Train format for non-Markovian quantum dynamics

enthalten in: arXiv.org | 2023

von Mangaud, E. | Jaouadi, A. | Chin, A. | +1

3

Chemisorbed vs physisorbed surface charge and its impact on electrokinetic transport : Carbon vs boron nitride surface

enthalten in: The Journal of chemical physics | 2022

von Mangaud, E. | Bocquet, M. | Bocquet, L. | +1

4

Nuclear Quantum Effects in Liquid Water at Near Classical Computational Cost Using the Adaptive Quantum Thermal Bath

enthalten in: The journal of physical chemistry letters | 2021

von Mauger, N. | Plé, T. | Lagardère, L. | +4

5

Funneling dynamics in a phenylacetylene trimer : Coherent excitation of donor excitonic states and their superposition

enthalten in: The Journal of chemical physics | 2021

von Breuil, G. | Mangaud, E. | Lasorne, B. | +2

6

Sampling mobility profiles of confined fluids with equilibrium molecular dynamics simulations

enthalten in: The Journal of chemical physics | 2020

von Mangaud, E. | Rotenberg, B.

7

Statistical distributions of the tuning and coupling collective modes at a conical intersection using the hierarchical equations of motion

enthalten in: The Journal of chemical physics | 2019

von Mangaud, E. | Lasorne, B. | Atabek, O. | +1

8

The Fluctuation-Dissipation Theorem as a Diagnosis and Cure for Zero-Point Energy Leakage in Quantum Thermal Bath Simulations

enthalten in: Journal of chemical theory and computation | 2019

von Mangaud, E. | Huppert, S. | Plé, T. | +3

9

Multidimensional Quantum Mechanical Modeling of Electron Transfer and Electronic Coherence in Plant Cryptochromes : The Role of Initial Bath Conditions

enthalten in: The journal of physical chemistry. B | 2018

von Mendive-Tapia, D. | Mangaud, E. | Firmino, T. | +4

10

Analysis of the non-Markovianity for electron transfer reactions in an oligothiophene-fullerene heterojunction

enthalten in: Chemical physics | 2017

von Mangaud, E. | Meier, C. | Desouter-Lecomte, M.