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Journal of the American Chemical Society
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November 8, 2023
How the Acidity of Water Droplets and Films Is Controlled by the Air-Water Interface
Miguel de la Puente, Damien Laage
The Journal of Physical Chemistry Letters
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March 12, 2024
Neural Network-Based Sum-Frequency Generation Spectra of Pure and Acidified Water Interfaces with Air
Miguel de la Puente, Axel Gomez, Damien Laage
The Journal of Physical Chemistry Letters
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March 5, 2025
Why Proton Grotthuss Diffusion Slows down at the Air-Water Interface while Water Diffusion Accelerates
Miguel de la Puente, Axel Gomez, Damien Laage
The Journal of Physical Chemistry. A
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November 25, 2025
Electronic Properties of SO<sub>2</sub> in Aqueous Nanodroplets from Machine Learning Molecular Dynamics and Electron Propagator Theory
Miguel de la Puente, Damien Laage, Benedito Costa Cabral
Journal of the American Chemical Society
|
June 6, 2022
Acids at the Edge: Why Nitric and Formic Acid Dissociations at Air-Water Interfaces Depend on Depth and on Interface Specific Area
Miguel de la Puente, Rolf David, Axel Gomez, et al.
Digital Discovery
|
November 18, 2024
ArcaNN: automated enhanced sampling generation of training sets for chemically reactive machine learning interatomic potentials
Rolf David, Miguel de la Puente, Axel Gomez, et al.
Science (New York, N.Y.)
|
October 24, 2024
Dissecting the hydrogen bond network of water: Charge transfer and nuclear quantum effects
Mischa Flór, David M Wilkins, Miguel de la Puente, et al.
Nature Communications
|
May 27, 2026
Protonation and magnesium ions shape the transition state diversity of phosphoanhydride hydrolysis in water
Adrián García-Martínez, Miguel de la Puente, Marion Cunin, et al.
Chemical Science
|
March 12, 2026
Simulating enzyme catalysis with electrostatically embedded machine learning potentials
Valentin Gradisteanu, Elliot W Chan, Lester Hedges, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 9) with videos related to
Sort By:
Page
of 1
Journal of the American Chemical Society
|
November 8, 2023
How the Acidity of Water Droplets and Films Is Controlled by the Air-Water Interface
Miguel de la Puente, Damien Laage
The Journal of Physical Chemistry Letters
|
March 12, 2024
Neural Network-Based Sum-Frequency Generation Spectra of Pure and Acidified Water Interfaces with Air
Miguel de la Puente, Axel Gomez, Damien Laage
The Journal of Physical Chemistry Letters
|
March 5, 2025
Why Proton Grotthuss Diffusion Slows down at the Air-Water Interface while Water Diffusion Accelerates
Miguel de la Puente, Axel Gomez, Damien Laage
The Journal of Physical Chemistry. A
|
November 25, 2025
Electronic Properties of SO<sub>2</sub> in Aqueous Nanodroplets from Machine Learning Molecular Dynamics and Electron Propagator Theory
Miguel de la Puente, Damien Laage, Benedito Costa Cabral
Journal of the American Chemical Society
|
June 6, 2022
Acids at the Edge: Why Nitric and Formic Acid Dissociations at Air-Water Interfaces Depend on Depth and on Interface Specific Area
Miguel de la Puente, Rolf David, Axel Gomez, et al.
Digital Discovery
|
November 18, 2024
ArcaNN: automated enhanced sampling generation of training sets for chemically reactive machine learning interatomic potentials
Rolf David, Miguel de la Puente, Axel Gomez, et al.
Science (New York, N.Y.)
|
October 24, 2024
Dissecting the hydrogen bond network of water: Charge transfer and nuclear quantum effects
Mischa Flór, David M Wilkins, Miguel de la Puente, et al.
Nature Communications
|
May 27, 2026
Protonation and magnesium ions shape the transition state diversity of phosphoanhydride hydrolysis in water
Adrián García-Martínez, Miguel de la Puente, Marion Cunin, et al.
Chemical Science
|
March 12, 2026
Simulating enzyme catalysis with electrostatically embedded machine learning potentials
Valentin Gradisteanu, Elliot W Chan, Lester Hedges, et al.
Page
of 1