Rodolphe Vuilleumier

Professor

Sorbonne Université

France

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Rodolphe Vuilleumier is a Professor at Sorbonne University in France. His research areas include vibrational circular dichroism, molecular dynamics simulations, and the spectroscopic properties of disordered matter. He has contributed to significant studies on liquid water dynamics, chiral molecular crystals, and the interactions of molecular systems under varying environmental conditions.

Articles (16)

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2025

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2025

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2024

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2024

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2024

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2023

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2023

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2023

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2023

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2023

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2023

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2023

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2022

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2022

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2022

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2022

Collaborators (5)

Anne Zehnacker

Université Paris-Saclay

FRANCE

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Riccardo Spezia

Sorbonne Université

FRANCE

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Michele Casula

Sorbonne Université

FRANCE

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Carine Clavaguéra

FRANCE

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Laurence Grimaud

FRANCE

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Rodolphe Vuilleumier

Research Interests

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Articles (16)

Liquid water under vibrational strong coupling: An extended cavity Born–Oppenheimer molecular dynamics study

The genesis of OH-stretching vibrational circular dichroism in chiral molecular crystals

Spectroscopic properties under vibrational strong coupling in disordered matter from path-integral Monte Carlo simulations

Vibrational Circular Dichroism Spectroscopy with a Classical Polarizable Force Field: Alanine in the Gas and Condensed Phases

Balancing exploration and exploitation in de novo drug design

Quasi-classical simulations of resonance Raman spectra based on path integral linearization

Study of Speciation and Transport Properties for Different Compositions of Carbonates in Li2CO3–Na2CO3 and Li2CO3–K2CO3 Binary Systems at High Temperature in Molten State

Influence of the environment on the infrared spectrum of alanine: An effective mode analysis

How Crystal Symmetry Dictates Non‐Local Vibrational Circular Dichroism in the Solid State

How Crystal Symmetry Dictates Non‐Local Vibrational Circular Dichroism in the Solid State

Vibrational spectroscopies in liquid water: on temperature and coordination effects in Raman and infrared spectroscopies

Thermal dependence of the hydrated proton and optimal proton transfer in the protonated water hexamer

Mass-zero constrained dynamics for simulations based on orbital-free density functional theory

Hydrogen phase-IV characterization by full account of quantum anharmonicity

Machine Learning Yield Prediction from NiCOlit, a Small-Size Literature Data Set of Nickel Catalyzed C–O Couplings

Quantum Rényi entropy by optimal thermodynamic integration paths

Collaborators (5)

Anne Zehnacker

Riccardo Spezia

Michele Casula

Carine Clavaguéra

Laurence Grimaud

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