Damien Laage

34PUBLICATIONS
40CO-AUTHORS
Catalysis and mechanisms of reactionsChemical and thermal processes in energy and combustionChemical thermodynamics and energeticsStructure and dynamics of materialsFluid-structure interaction and aeroacoustics
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Publications (34)

|May 27, 2026
Protonation and magnesium ions shape the transition state diversity of phosphoanhydride hydrolysis in water.

|Mar 12, 2026
Simulating enzyme catalysis with electrostatically embedded machine learning potentials.

Valentin Gradisteanu, Elliot W Chan, Lester Hedges

|Nov 25, 2025
Electronic Properties of SO2 in Aqueous Nanodroplets from Machine Learning Molecular Dynamics and Electron Propagator Theory.

Miguel de la Puente, Damien Laage, Benedito Costa Cabral

|Aug 27, 2025
A Multiscale Study to Characterize SHAPE Probe/RNA Molecules Prereactive Complex and Its Role in Initiating the SHAPE Reaction.

Cécilia Hognon, Ameni Ben Abdeljaoued, Pierre Hardouin

|Jul 22, 2025
Liquid water under vibrational strong coupling: An extended cavity Born-Oppenheimer molecular dynamics study.

Jessica Bowles, Jaime De La Fuente Diez, Damien Laage

|Mar 31, 2025
Molecular dynamics simulations for enzymatic hydride-transfer reactions: Defining environmental reaction coordinates to capture transition state diversity.

Rafael García-Meseguer, Elise Duboué-Dijon, Sergio Martí

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Frequent Collaborators

9 joint publications

Miguel de la Puente

7 joint publications

James T Hynes

6 joint publications

Axel Gomez

5 joint publications

Iñaki Tuñón