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Axel Gomez

9PUBLICATIONS

39CO-AUTHORS

Integrable systems (classical and quantum)Theoretical quantum chemistryTransport properties and non-equilibrium processesModelling and simulationReaction kinetics and dynamics

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Publications (9)

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|Apr 13, 2026

fix pimd/langevin: An efficient implementation of path integral molecular dynamics in LAMMPS.

Yifan Li, Axel Gomez, Kehan Cai

|Jan 06, 2026

Modeling the behavior of concentrated aqueous HNO3 using machine learning interatomic potentials.

Mohammadhasan Dinpajooh, Michael D Lacount, Scott E Muller

|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

|Aug 20, 2024

Neural-network-based molecular dynamics simulations reveal that proton transport in water is doubly gated by sequential hydrogen-bond exchange.

Axel Gomez, Ward H Thompson, Damien Laage

|Mar 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

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Frequent Collaborators

6 joint publications

Damien Laage

4 joint publications

Miguel de la Puente

2 joint publications

Rolf David

2 joint publications

Ward H Thompson

1 joint publications

Philip E Mason

1 joint publications

Ryan S McMullen

1 joint publications

Roberto Car

1 joint publications

Tomas Martinek

1 joint publications

Krystof Brezina

1 joint publications

Robert Seidel

Frequent Collaborators

6 joint publications

Damien Laage

4 joint publications

Miguel de la Puente

2 joint publications

Rolf David

2 joint publications

Ward H Thompson

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