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D

Damien Laage

cnrs and psl university and sorbonne university

43H-index
137Paper Count
7.9KCitation Count
Published Papers 43
Publication Date
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Protonation and magnesium ions shape the transition state diversity of phosphoanhydride hydrolysis in water
errNature Communications
IF15.7
err2026-05-27
err0
errOAAI
errAdrián García-Martínez; Miguel de la Puente; Marion Cunin; Kirill Zinovjev; J. Javier Ruiz-Pernía; Damien Laage; Iñaki Tuñón
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Simulating enzyme catalysis with electrostatically embedded machine learning potentials
errchem. sci.
IF0
err2026-03-11
err0
errOAAI
errValentin Gradisteanu †; Elliot W. Chan †; Lester Hedges; Meritxell Malagarriga; Rolf David; Miguel de la Puente; Damien Laage; Iñaki Tuñón; Marc W. van der Kamp; Kirill Zinovjev
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errSave
Electronic Properties of SO2 in Aqueous Nanodroplets from Machine Learning Molecular Dynamics and Electron Propagator Theory
errThe Journal of Physical Chemistry A
IF2.8
err2025-11-24
err0
PREAI
errMiguel de la Puente; Damien Laage; Benedito Costa Cabral
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errSave
Molecular dynamics simulations for enzymatic hydride-transfer reactions: Defining environmental reaction coordinates to capture transition state diversity
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-03-28
err0
PREAI
errGarcia-Meseguer, Rafael; Duboue-Dijon, Elise; Marti, Sergio; Ruiz-Pernia, J. Javier; Laage, Damien; Tunon, Inaki; Hynes, James T.
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errSave
ArcaNN: automated enhanced sampling generation of training sets for chemically reactive machine learning interatomic potentials
errDIGITAL DISCOVERY
IF5.6
err2025-01-01
err5
errOAAI
errDavid, Rolf; de la Puente, Miguel; Gomez, Axel; Anton, Olaia; Stirnemann, Guillaume; Laage, Damien
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errSave
Neural-network-based molecular dynamics simulations reveal that proton transport in water is doubly gated by sequential hydrogen-bond exchange
errNATURE CHEMISTRY
IF20.2
err2024-08-20
err3
PREAI
errGomez, Axel; Thompson, Ward H.; Laage, Damien
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errSave
Impact of interfacial curvature on molecular properties of aqueous interfaces
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-06-18
err2
errOAAI
errde la Puente, M.; Laage, D.
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errSave
Competing Reaction Mechanisms of Peptide Bond Formation in Water Revealed by Deep Potential Molecular Dynamics and Path Sampling
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2024-05-13
err3
errOAAI
errDavid, Rolf; Tunon, Inaki; Laage, Damien
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errSave
Activation and friction in enzymatic loop opening and closing dynamics
errNATURE COMMUNICATIONS
IF15.7
err2024-03-20
err2
errOAAI
errZinovjev, Kirill; Guenon, Paul; Ramos-Guzman, Carlos A.; Ruiz-Pernia, J. Javier; Laage, Damien; Tunon, Inaki
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errSave
Electrified/charged aqueous interfaces: general discussion
errFARADAY DISCUSSIONS
IF3.1
err2024-01-01
err3
PREAI
errAdvincula, Xavier R.; Backus, Ellen H. G.; Bonn, Mischa; Cox, Stephen J.; Diebold, Ulrike; Fellows, Alexander; Finney, Aaron R.; Goel, Gaurav; Hedley, Jonathan; Jiang, Ying; Jin, Di; Kapil, Venkat; Kavokine, Nikita; Klein, Jacob; Laage, Damien; Mohandas, Nandita; Morgenstern, Karina; Mukherjee, Taritra; de la Cruz, Monica Olvera; Orlikowska-Rzeznik, Hanna; Perkin, Susan; Piaggi, Pablo M.; Rodellar, Carlos Gomez; Ryan, Paul; Sayer, Thomas; Seyffertitz, Malina; Shepelenko, Margarita; Sosso, Gabriele C.; Thaemer, Martin; Vilangottunjalil, Aswathi; Walker-Gibbons, Rowan; Wang, Yongkang; Willard, Adam P.; Zhang, Peng
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errSave
Soft matter-water interface: general discussion
errFARADAY DISCUSSIONS
IF3.1
err2024-01-01
err0
PREAI
errBackus, Ellen H. G.; Ben Ari, Gil; Benaglia, Simone; Bonn, Mischa; Bui, Anna T.; Cox, Stephen J.; Della Pia, Flaviano; Fraxedas, Jordi; Goel, Gaurav; Jiang, Ying; Jin, Di; Koga, Kenichiro; Laage, Damien; Miao, Shurui; Michaelides, Angelos; Morgenstern, Karina; Mukherjee, Taritra; Nagata, Yuki; Naito, Hidefumi; Nir, Oded; de la Cruz, Monica Olvera; Orlikowska-Rzeznik, Hanna; Pan, Ding; Rempe, Susan L. B.; Salzmann, Christoph G.; Taira, Aoi; Vilangottunjalil, Aswathi; Wang, Shaoheng; Willard, Adam P.; Yao, Yang; Yu, Junting
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errSave
Water dynamics and sum-frequency generation spectra at electrode/aqueous electrolyte interfaces
errFARADAY DISCUSSIONS
IF3.1
err2024-01-01
err5
PREAI
errOlivieri, Jean-Francois; Hynes, James T.; Laage, Damien
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errSave
A structure-dynamics relationship enables prediction of the water hydrogen bond exchange activation energy from experimental data
errCHEMICAL SCIENCE
IF7.4
err2024-01-01
err2
errOAAI
errPiskulich, Zeke A.; Laage, Damien; Thompson, Ward H.
errShare
errSave
Ice interfaces: general discussion
errFARADAY DISCUSSIONS
IF3.1
err2024-01-01
err0
PREAI
errAdvincula, Xavier R.; Backus, Ellen H. G.; Bartels-Rausch, Thorsten; Benaglia, Simone; Ben Ari, Gil; Blow, Katarina E.; Bonn, Mischa; Bui, Anna T.; Cox, Stephen J.; Della Pia, Flaviano; Diebold, Ulrike; Finney, Aaron R.; Franceschi, Giada; Fumagalli, Laura; Goel, Gaurav; Hayton, John A.; Holdship, Charlie; Jiang, Ying; Jin, Di; Kapil, Venkat; Kavokine, Nikita; Koga, Kenichiro; Laage, Damien; Lahav, Meir; Miao, Shurui; Michaelides, Angelos; Mohandas, Nandita; Morgenstern, Karina; Mukherjee, Taritra; Nagata, Yuki; Olvera de la Cruz, Monica; Pan, Ding; Piaggi, Pablo M.; Rempe, Susan L. B.; Ryan, Paul; Salzmann, Christoph G.; Sayer, Thomas; Saykally, Richard J.; Shepelenko, Margarita; Sosso, Gabriele C.; Whale, Thomas F.; White, Jessica Jein; Willard, Adam P.; Zhang, Peng
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errSave
How the Acidity of Water Droplets and Films Is Controlled by the Air-Water Interface
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2023-11-08
err18
errOAAI
errde la Puente, Miguel; Laage, Damien
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errSave
Dielectric response of confined water films from a classical density functional theory perspective
errCHEMICAL SCIENCE
IF7.4
err2023-01-01
err5
errOAAI
errBorgis, Daniel; Laage, Damien; Belloni, Luc; Jeanmairet, Guillaume
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errSave
On water reorientation dynamics in cation hydration shells
errJOURNAL OF MOLECULAR LIQUIDS
IF5.2
err2022-10-01
err10
errOAAI
errPluharova, Eva; Stirnemann, Guillaume; Laage, Damien
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errSave
The soft breeze of the cation atmosphere around DNA
errBIOPHYSICAL JOURNAL
IF3.1
err2022-09-01
err0
errOAAI
errFerrage, Fabien; Laage, Damien
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errSave
Acids at the Edge: Why Nitric and Formic Acid Dissociations at Air-Water Interfaces Depend on Depth and on Interface Specific Area
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2022-06-06
err39
errOAAI
errde la Puente, Miguel; David, Rolf; Gomez, Axel; Laage, Damien
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errSave
On the role of hydrogen-bond exchanges in the spectral diffusion of water
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-02-08
err26
errOAAI
errPiskulich, Zeke A.; Laage, Damien; Thompson, Ward H.
errShare
errSave

Research Directions

No research directions
Co-authors
Cooperation Journals
M
Mischa Bonn
H-index: 103 · Papers: 889
R
Richard J. Saykally
H-index: 101 · Papers: 616
J
James T. Hynes
H-index: 97 · Papers: 423
C
Carlo Adamo
H-index: 87 · Papers: 583
P
Pavel Jungwirth
H-index: 85 · Papers: 430
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