Miguel de la Puente

9PUBLICATIONS
15CO-AUTHORS
Chemical and thermal processes in energy and combustionChemical thermodynamics and energeticsTransport properties and non-equilibrium processesModelling and simulationColloid and surface chemistry
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Publications (9)

|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

|Mar 05, 2025
Why Proton Grotthuss Diffusion Slows down at the Air-Water Interface while Water Diffusion Accelerates.

Miguel de la Puente, Axel Gomez, Damien Laage

|Nov 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

|Oct 24, 2024
Dissecting the hydrogen bond network of water: Charge transfer and nuclear quantum effects.

Mischa Flór, David M Wilkins, Miguel de la Puente

|Jun 18, 2024
Impact of interfacial curvature on molecular properties of aqueous interfaces.

M de la Puente, D Laage

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Frequent Collaborators

9 joint publications

Damien Laage

4 joint publications

Axel Gomez

3 joint publications

Rolf David

1 joint publications

Mischa Flór