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Rodolphe Vuilleumier

Rodolphe Vuilleumier

D-Index & Metrics

Chemistry

D-Index
56
Citations
8865
World Ranking
11891
National Ranking
466

Overview

Rodolphe Vuilleumier is affiliated with the École Normale Supérieure in France and has contributed extensively to fields spanning physics, chemistry, and spectroscopy. Their publication record demonstrates significant research activity in the intersections of atomic and molecular physics, optics, and advanced chemical physics, with a particular focus on spectroscopic methods and quantum chemical studies.

Their research covers topics such as:

  • Spectroscopy and Quantum Chemical Studies
  • Molecular spectroscopy and chirality
  • Quantum, superfluid, helium dynamics
  • Protein Structure and Dynamics
  • Machine Learning in Materials Science
  • Advanced Chemical Physics Studies
  • Electrochemical Analysis and Applications

In terms of scientific fields, Vuilleumier's work is categorized mainly under:

  • Physics and Astronomy
  • Chemistry

More specific subfields they have contributed to include:

  • Atomic and Molecular Physics, and Optics
  • Spectroscopy
  • Materials Chemistry
  • Molecular Biology
  • Renewable Energy, Sustainability and the Environment

Vuilleumier's research has been published in a variety of scientific venues with multiple contributions to:

  • arXiv (Cornell University)
  • Physical Chemistry Chemical Physics
  • The Journal of Chemical Physics
  • Zenodo (CERN European Organization for Nuclear Research)
  • Chemical Science

Among recent notable papers authored or co-authored by Vuilleumier are:

  • "Machine Learning Yield Prediction from NiCOlit, a Small-Size Literature Data Set of Nickel Catalyzed C-O Couplings" (2022, Journal of the American Chemical Society)
  • "Assessing cluster models of solvation for the description of vibrational circular dichroism spectra: synergy between static and dynamic approaches" (2020, Physical Chemistry Chemical Physics)
  • "Computation of Solid-State Vibrational Circular Dichroism in the Periodic Gauge" (2021, The Journal of Physical Chemistry Letters)
  • "Explaining and avoiding failure modes in goal-directed generation of small molecules" (2022, Journal of Cheminformatics)
  • "The trisulfur radical ion S 3 •− controls platinum transport by hydrothermal fluids" (2021, Proceedings of the National Academy of Sciences)

Frequent collaborators of Vuilleumier include:

  • Sascha Jähnigen
  • Anne Zehnacker
  • Elsa Desmaele
  • Gleb S. Pokrovski
  • Michele Casula

Best Publications

  • XFEL: The European X-Ray Free-Electron Laser - Technical Design Report

    R. Abela;K. Witte;A. Schwarz;H. Redlin

  • Transport and spectroscopy of the hydrated proton: A molecular dynamics study

    Rodolphe Vuilleumier;Daniel Borgis

  • Electronic structure and solvation of copper and silver ions: a theoretical picture of a model aqueous redox reaction

    Jochen Blumberger;Leonardo Bernasconi;Ivano Tavernelli;Rodolphe Vuilleumier

  • An extended empirical valence bond model for describing proton transfer in H+(H2O)n clusters and liquid water

    Rodolphe Vuilleumier;Daniel Borgis

  • Quantum Dynamics of an Excess Proton in Water Using an Extended Empirical Valence-Bond Hamiltonian

    Rodolphe Vuilleumier;Daniel Borgis

  • Water and ions in clays: Unraveling the interlayer/micropore exchange using molecular dynamics

    Benjamin Rotenberg;Benjamin Rotenberg;Virginie Marry;Rodolphe Vuilleumier;Natalie Malikova

  • Infrared Spectroscopy of N-Methylacetamide Revisited by ab Initio Molecular Dynamics Simulations

    M.-P. Gaigeot;R. Vuilleumier;M. Sprik;D. Borgis

  • Infrared spectroscopy in the gas and liquid phase from first principle molecular dynamics simulations: application to small peptides

    Marie-Pierre Gaigeot;Michaël Martinez;Rodolphe Vuilleumier

  • Sulfur radical species form gold deposits on Earth

    Gleb S. Pokrovski;Maria A. Kokh;Damien Guillaume;Anastassia Y. Borisova

  • Van der Waals effects in ab initio water at ambient and supercritical conditions.

    Romain Jonchiere;Ari P. Seitsonen;Guillaume Ferlat;A. Marco Saitta

  • Visualizing chemical reactions in solution by picosecond x-ray diffraction.

    Anton Plech;Michael Wulff;Savo Bratos;Fabien Mirloup

  • Including many-body effects in models for ionic liquids

    Mathieu Salanne;Benjamin Rotenberg;Sandro Jahn;Rodolphe Vuilleumier

  • Dipole Moment, Hydrogen Bonding and IR Spectrum of Confined Water

    François-Xavier Coudert;Rodolphe Vuilleumier;Anne Boutin

  • Extracting effective normal modes from equilibrium dynamics at finite temperature.

    M. Martinez;M.-P. Gaigeot;D. Borgis;R. Vuilleumier

  • Molecular density functional theory of solvation: from polar solvents to water.

    Shuangliang Zhao;Rosa Ramirez;Rodolphe Vuilleumier;Daniel Borgis

  • Chemisorption of Hydroxide on 2D Materials from DFT Calculations: Graphene versus Hexagonal Boron Nitride

    Benoit Grosjean;Clarisse Pean;Alessandro Siria;Lydéric Bocquet

  • Electronic properties of hard and soft ions in solution: Aqueous Na+ and Ag+ compared

    Rodolphe Vuilleumier;Michiel Sprik

  • Ab initio molecular dynamics for molecules with variable numbers of electrons.

    Ivano Tavernelli;Rodolphe Vuilleumier;Michiel Sprik

  • Molecular Density Functional Theory of Water

    Guillaume Jeanmairet;Maximilien Levesque;Maximilien Levesque;Rodolphe Vuilleumier;Daniel Borgis

  • Tears of wine: the stationary state

    R. Vuilleumier;V. Ego;L. Neltner;A. M. Cazabat

Frequent Co-Authors

Marie-Pierre Gaigeot
Marie-Pierre Gaigeot University of Évry Val d'Essonne
Benjamin Rotenberg
Benjamin Rotenberg Sorbonne University
Daniel Borgis
Daniel Borgis École Normale Supérieure
Mathieu Salanne
Mathieu Salanne Sorbonne University
Ivano Tavernelli
Ivano Tavernelli IBM (United States)
Michael Wulff
Michael Wulff European Synchrotron Radiation Facility
Anne Boutin
Anne Boutin École Normale Supérieure
Ari P. Seitsonen
Ari P. Seitsonen PSL University
E. K. U. Gross
E. K. U. Gross Hebrew University of Jerusalem

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