Damien Laage

École Nationale Supérieure de Chimie de Montpellier — France

Physics and Astronomy · Physical Sciences

43h-index7.9kcitations135works8.42yr avg
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Research Topics

Spectroscopy and Quantum Chemical Studies(85), Protein Structure and Dynamics(32), Quantum, superfluid, helium dynamics(18), Molecular spectroscopy and chirality(18), Photochemistry and Electron Transfer Studies(14)

Publications135 total

Electronic Properties of SO <sub>2</sub> in Aqueous Nanodroplets from Machine Learning Molecular Dynamics and Electron Propagator Theory
The Journal of Physical Chemistry A·2025Open Access
A Multiscale Study to Characterize SHAPE Probe/RNA Molecules Prereactive Complex and Its Role in Initiating the SHAPE Reaction
Journal of Chemical Information and Modeling·2025Open Access
A multiscale study to characterize SHAPE probe/ RNA molecules pre-reactive complex and its role in initiating the SHAPE reaction
2025Open Access
Liquid water under vibrational strong coupling: An extended cavity Born–Oppenheimer molecular dynamics study
The Journal of Chemical Physics·2025· 1 citedOpen Access
Simulating enzyme catalysis with electrostatically embedded machine learning potentials
2025· 3 citedOpen Access
Molecular insights on the pre-reactive complex between SHAPE probe and RNA molecules and its role in the SHAPE reaction: a multiscale study
2025Open Access
Molecular dynamics simulations for enzymatic hydride-transfer reactions: Defining environmental reaction coordinates to capture transition state diversity
The Journal of Chemical Physics·2025· 1 citedOpen Access
Why Proton Grotthuss Diffusion Slows down at the Air–Water Interface while Water Diffusion Accelerates
The Journal of Physical Chemistry Letters·2025· 2 citedOpen Access
ArcaNN: automated enhanced sampling generation of training sets for chemically reactive machine learning interatomic potentials
Digital Discovery·2024· 27 citedOpen Access
Dissecting the hydrogen bond network of water: Charge transfer and nuclear quantum effects
Science·2024· 98 citedOpen Access
Author response for "ArcaNN: automated enhanced sampling generation of training sets for chemically reactive machine learning interatomic potentials"
2024
Excess Proton Diffusion in Bulk and Interfacial Water: Profound Anomalies Beneath Surface Normality
2024Open Access
Neural-network-based molecular dynamics simulations reveal that proton transport in water is doubly gated by sequential hydrogen-bond exchange
Nature Chemistry·2024· 55 citedOpen Access
ArcaNN: automated enhanced sampling generation of training sets for chemically reactive machine learning interatomic potentials
arXiv (Cornell University)·2024· 2 citedOpen Access
Impact of interfacial curvature on molecular properties of aqueous interfaces
The Journal of Chemical Physics·2024· 7 citedOpen Access
Neural network potentials for exploring condensed phase chemical reactivity
Comptes Rendus Chimie·2024· 6 citedOpen Access
Competing Reaction Mechanisms of Peptide Bond Formation in Water Revealed by Deep Potential Molecular Dynamics and Path Sampling
Journal of the American Chemical Society·2024· 20 citedOpen Access
Neural network potentials for exploring condensed phase chemical reactivity
2024Open Access
Proton transport in water is doubly gated by sequential hydrogen-bond exchanges
2024Open Access
Solid-liquid interfaces: Atomic-scale structure and dynamics
Journal of Applied Physics·2024Open Access
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Frequent Co-authors

James T. Hynes(26), Guillaume Stirnemann(17), Fabio Sterpone(7), Ward H. Thompson(7), Aoife C. Fogarty(6), Élise Duboué-Dijon(6), Miguel de la Puente(3), Axel Gomez(3), Irène Burghardt(3), Thomas Elsaesser(2), Rossend Rey(2), Peter J. Rossky(2), David M. Wilkins(2), Mireille Blanchard‐Desce(2), Thomas Sommerfeld(2), Erik Wernersson(1), Pavel Jungwirth(1), Jean-François Olivieri(1), Mischa Flór(1), Giuseppe Cassone(1)