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Chemistry

D-Index
40
Citations
6065
World Ranking
17893
National Ranking
796

Overview

Marie-Pierre Gaigeot is affiliated with the University of Évry Val d'Essonne in France. Their research spans multiple fields primarily within chemistry and physics, focusing on atomic and molecular physics, spectroscopy, electrochemistry, physical and theoretical chemistry, and topics related to renewable energy and environmental sustainability.

The scientist's work addresses a range of main topics including spectroscopy and quantum chemical studies, electrochemical analysis and applications, mass spectrometry techniques, electrostatics and colloid interactions, as well as nuclear magnetic resonance (NMR) spectroscopy applications and machine learning in materials science. Iron oxide chemistry also features among their areas of interest.

Marie-Pierre Gaigeot has published extensively in several scientific venues, with frequent contributions to:

  • Physical Chemistry Chemical Physics
  • The Journal of Physical Chemistry Letters
  • The Journal of Physical Chemistry C
  • Chemical Reviews
  • Journal of Chemical Theory and Computation

The list of recent publications includes:

  • Oxide- and Silicate-Water Interfaces and Their Roles in Technology and the Environment, 2023, Chemical Reviews
  • Ions Tune Interfacial Water Structure and Modulate Hydrophobic Interactions at Silica Surfaces, 2020, Journal of the American Chemical Society
  • Wrapping Up Hydrophobic Hydration: Locality Matters, 2020, The Journal of Physical Chemistry Letters
  • Gas-Phase Infrared Spectroscopy of Neutral Peptides: Insights from the Far-IR and THz Domain, 2020, Chemical Reviews
  • Molecular Fingerprints of Hydrophobicity at Aqueous Interfaces from Theory and Vibrational Spectroscopies, 2021, The Journal of Physical Chemistry Letters

The scientist frequently collaborates with other researchers, including Simone Pezzotti, Sana Bougueroua, Wanlin Chen, Dominique Barth, and Flavio Siro Brigiano. Collaboration counts indicate repeated joint authorship, with Simone Pezzotti appearing as the most frequent co-author.

In summary, Marie-Pierre Gaigeot's research engages with the structural and spectroscopic properties of interfaces, molecular interactions, and theoretical as well as applied chemistry, contributing to understanding processes relevant to both environmental and technological contexts.

Best Publications

  • The Silica-Water Interface: How the Silanols Determine the Surface Acidity and Modulate the Water Properties.

    Marialore Sulpizi;Marie-Pierre Gaigeot;Marie-Pierre Gaigeot;Michiel Sprik

  • Ab Initio Molecular Dynamics Computation of the Infrared Spectrum of Aqueous Uracil

    Marie-Pierre Gaigeot†;Michiel Sprik

  • Density functional theory across chemistry, physics and biology

    Tanja van Mourik;Michael Bühl;Marie-Pierre Gaigeot

  • Oxide/water interfaces: how the surface chemistry modifies interfacial water properties.

    Marie-Pierre Gaigeot;Marie-Pierre Gaigeot;Michiel Sprik;Marialore Sulpizi

  • Theoretical spectroscopy of floppy peptides at room temperature. A DFTMD perspective: gas and aqueous phase

    Marie-Pierre Gaigeot;Marie-Pierre Gaigeot

  • Vibrational Sum Frequency Generation Spectroscopy of the Water Liquid–Vapor Interface from Density Functional Theory-Based Molecular Dynamics Simulations

    Marialore Sulpizi;Mathieu Salanne;Michiel Sprik;Marie-Pierre Gaigeot;Marie-Pierre Gaigeot

  • 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

  • Quantum Effects in the Threshold Photoionization and Energetics of the Benzene−H2O and Benzene−D2O Complexes: Experiment and Simulation

    Alexa Courty;Michel Mons;Iliana Dimicoli;François Piuzzi

  • Molecular hydrophobicity at a macroscopically hydrophilic surface.

    Jenée Cyran;Michael Anthony Donovan;Doris Vollmer;Flavio Siro Brigiano

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

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

  • 2D H-Bond Network as the Topmost Skin to the Air–Water Interface

    Simone Pezzotti;Simone Pezzotti;Daria Ruth Galimberti;Daria Ruth Galimberti;Marie-Pierre Gaigeot;Marie-Pierre Gaigeot

  • Bimodal Acidity at the Amorphous Silica/Water Interface

    Morgane Pfeiffer-Laplaud;Dominique Costa;Frederik Tielens;Marie-Pierre Gaigeot;Marie-Pierre Gaigeot

  • Structural definition of the BIL and DL: a new universal methodology to rationalize non-linear χ(2)(ω) SFG signals at charged interfaces, including χ(3)(ω) contributions

    Simone Pezzotti;Daria Ruth Galimberti;Y. Ron Shen;Marie-Pierre Gaigeot

  • Resonant infrared multiphoton dissociation spectroscopy of gas-phase protonated peptides. Experiments and Car–Parrinello dynamics at 300 K

    G. Grégoire;M. P. Gaigeot;D. C. Marinica;J. Lemaire

  • Density-functional theory-based molecular simulation study of liquid methanol

    Jan-Willem Handgraaf;Evert Jan Meijer;Marie-Pierre Gaigeot

  • Water orientation and hydrogen-bond structure at the fluorite/water interface

    Rémi Khatib;Ellen H. G. Backus;Mischa Bonn;María-José Perez-Haro

  • The amorphous silica-liquid water interface studied by ab initio molecular dynamics (AIMD): local organization in global disorder

    Álvaro Cimas;Frederik Tielens;Marialore Sulpizi;Marie-Pierre Gaigeot;Marie-Pierre Gaigeot

  • Differentiation of the fucoidan sulfated L-fucose isomers constituents by CE-ESIMS and molecular modeling.

    Bérangère Tissot;Jean-Yves Salpin;Michael Martinez;Marie-Pierre Gaigeot

  • Ab Initio Molecular Dynamics Study of the AlOOH Boehmite/Water Interface: Role of Steps in Interfacial Grotthus Proton Transfers

    A. Motta;M-P. Gaigeot;D. Costa

  • Ions Tune Interfacial Water Structure and Modulate Hydrophobic Interactions at Silica Surfaces.

    Aashish Tuladhar;Aashish Tuladhar;Shalaka Dewan;Simone Pezzotti;Flavio Siro Brigiano

  • Ab initio molecular dynamics study of uracil in aqueous solution

    Marie-Pierre Gaigeot;Michiel Sprik

  • Wrapping Up Hydrophobic Hydration: Locality Matters.

    V. Conti Nibali;S. Pezzotti;S. Pezzotti;F. Sebastiani;D. R. Galimberti

Frequent Co-Authors

Rodolphe Vuilleumier
Rodolphe Vuilleumier École Normale Supérieure
Daniel Borgis
Daniel Borgis École Normale Supérieure
Ivano Tavernelli
Ivano Tavernelli IBM (United States)
R. Benny Gerber
R. Benny Gerber Hebrew University of Jerusalem
Michiel Sprik
Michiel Sprik University of Cambridge
Jos Oomens
Jos Oomens Radboud University
Anne B. McCoy
Anne B. McCoy University of Washington
Anna I. Krylov
Anna I. Krylov University of Southern California
Jack Simons
Jack Simons University of Utah
Kenneth D. Jordan
Kenneth D. Jordan University of Pittsburgh

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