Axel Gomez

10PUBLICATIONS
45CO-AUTHORS
Reaction kinetics and dynamicsIntegrable systems (classical and quantum)Theoretical quantum chemistryTransport properties and non-equilibrium processesModelling and simulation
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Publications (10)

|Jul 23, 2026
Time-Resolved X-ray Photoelectron Spectroscopy: Probing Bond Order Rearrangements during Ultrafast Excited-State Intramolecular Proton Transfer.

|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

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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