Damien Laage - Publications, H-index & Citations

Damien Laage

cnrs and psl university and sorbonne university

43H指数

137论文数

7.9K被引数

收录论文 43

发表时间

Protonation and magnesium ions shape the transition state diversity of phosphoanhydride hydrolysis in water 质子化和镁离子塑造了水中磷酐水解过渡态的多样性

Nature Communications

IF15.7

2026-05-27

OAAI

Adrián García-Martínez; Miguel de la Puente; Marion Cunin; Kirill Zinovjev; J. Javier Ruiz-Pernía; Damien Laage; Iñaki Tuñón

Simulating enzyme catalysis with electrostatically embedded machine learning potentials 静电嵌入机器学习势能模拟酶催化

chem. sci.

IF0

2026-03-11

OAAI

Valentin 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

Electronic Properties of SO2 in Aqueous Nanodroplets from Machine Learning Molecular Dynamics and Electron Propagator Theory SO2在水相纳米液滴中的电子性质：基于机器学习分子动力学和电子传播子理论

The Journal of Physical Chemistry A

IF2.8

2025-11-24

PREAI

Miguel de la Puente; Damien Laage; Benedito Costa Cabral

Molecular dynamics simulations for enzymatic hydride-transfer reactions: Defining environmental reaction coordinates to capture transition state diversity

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2025-03-28

PREAI

Garcia-Meseguer, Rafael; Duboue-Dijon, Elise; Marti, Sergio; Ruiz-Pernia, J. Javier; Laage, Damien; Tunon, Inaki; Hynes, James T.

ArcaNN: automated enhanced sampling generation of training sets for chemically reactive machine learning interatomic potentials ArcaNN: 用于化学反应机器学习原子间势的训练集的自动增强采样生成

DIGITAL DISCOVERY

IF5.6

2025-01-01

OAAI

David, Rolf; de la Puente, Miguel; Gomez, Axel; Anton, Olaia; Stirnemann, Guillaume; Laage, Damien

Neural-network-based molecular dynamics simulations reveal that proton transport in water is doubly gated by sequential hydrogen-bond exchange 基于神经网络的分子动力学模拟表明，水中的质子传输受到顺序氢键交换的双重门控

NATURE CHEMISTRY

IF20.2

2024-08-20

PREAI

Gomez, Axel; Thompson, Ward H.; Laage, Damien

Impact of interfacial curvature on molecular properties of aqueous interfaces

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2024-06-18

OAAI

de la Puente, M.; Laage, D.

Competing Reaction Mechanisms of Peptide Bond Formation in Water Revealed by Deep Potential Molecular Dynamics and Path Sampling

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2024-05-13

OAAI

David, Rolf; Tunon, Inaki; Laage, Damien

Activation and friction in enzymatic loop opening and closing dynamics

NATURE COMMUNICATIONS

IF15.7

2024-03-20

OAAI

Zinovjev, Kirill; Guenon, Paul; Ramos-Guzman, Carlos A.; Ruiz-Pernia, J. Javier; Laage, Damien; Tunon, Inaki

Electrified/charged aqueous interfaces: general discussion

FARADAY DISCUSSIONS

IF3.1

2024-01-01

PREAI

Advincula, 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

Soft matter-water interface: general discussion

FARADAY DISCUSSIONS

IF3.1

2024-01-01

PREAI

Backus, 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

Water dynamics and sum-frequency generation spectra at electrode/aqueous electrolyte interfaces 电极/水性电解质界面处的水动力学和频率产生光谱

FARADAY DISCUSSIONS

IF3.1

2024-01-01

PREAI

Olivieri, Jean-Francois; Hynes, James T.; Laage, Damien

A structure-dynamics relationship enables prediction of the water hydrogen bond exchange activation energy from experimental data

CHEMICAL SCIENCE

IF7.4

2024-01-01

OAAI

Piskulich, Zeke A.; Laage, Damien; Thompson, Ward H.

Ice interfaces: general discussion

FARADAY DISCUSSIONS

IF3.1

2024-01-01

PREAI

Advincula, 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

How the Acidity of Water Droplets and Films Is Controlled by the Air-Water Interface

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2023-11-08

OAAI

de la Puente, Miguel; Laage, Damien

Dielectric response of confined water films from a classical density functional theory perspective 从经典密度泛函理论的角度看承压水膜的介电响应

CHEMICAL SCIENCE

IF7.4

2023-01-01

OAAI

Borgis, Daniel; Laage, Damien; Belloni, Luc; Jeanmairet, Guillaume