Author

Axel Gomez

Observed names: Gomez, A., Gomez, Axel

Institutions: Centre National de la Recherche Scientifique, Pacific Northwest National Laboratory, Princeton University, École Normale Supérieure - PSL, Sorbonne Université, Chimie Physique et Chimie du Vivant

Observed institutions: Centre National de la Recherche Scientifique, Pacific Northwest National Laboratory, Princeton University, Czech Academy of Sciences, IFP Énergies nouvelles, Université Paris Sciences et Lettres, École Normale Supérieure - PSL, Sorbonne Université, Processus d'Activation Sélective par Transfert d'Énergie Uni-électronique ou Radiatif, Czech Academy of Sciences, Institute of Organic Chemistry and Biochemistry, Chimie Physique et Chimie du Vivant

ORCID: 0000-0002-0378-4352

Observed ORCID: 0000-0002-0378-4352

OpenAlex ID: A5029658762

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

2024 · Axel Gomez, Ward H. Thompson, et al. · Nature Chemistry · 117

Acids at the Edge: Why Nitric and Formic Acid Dissociations at Air–Water Interfaces Depend on Depth and on Interface Specific Area

2022 · Miguel de la Puente, Rolf David, et al. · Journal of the American Chemical Society · 80

Photoelectron spectra of alkali metal–ammonia microjets: From blue electrolyte to bronze metal

2020 · Tillmann Buttersack, Philip E. Mason, et al. · Science · 66

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Spectroscopic Expression of the External Surface Sites of H-ZSM-5

2021 · Laureline Treps, Coralie Demaret, et al. · The Journal of Physical Chemistry C · 65

Environment, Stability and Acidity of External Surface Sites of Silicalite-1 and ZSM-5 Micro and Nano Slabs, Sheets, and Crystals

2020 · Laureline Treps, Axel Gomez, et al. · ACS Catalysis · 63

On the origin of the difference between type A and type B skeletal isomerization of alkenes catalyzed by zeolites: The crucial input of ab initio molecular dynamics

2019 · Jérôme Rey, Axel Gomez, et al. · Journal of Catalysis · 60

Water Diffusion Proceeds via a Hydrogen-Bond Jump Exchange Mechanism

2022 · Axel Gomez, Zeke A. Piskulich, et al. · The Journal of Physical Chemistry Letters · 53

ArcaNN: automated enhanced sampling generation of training sets for chemically reactive machine learning interatomic potentials

2024 · Rolf David, Miguel de la Puente, et al. · Digital Discovery · 40

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Neural Network-Based Sum-Frequency Generation Spectra of Pure and Acidified Water Interfaces with Air

2024 · Miguel de la Puente, Axel Gomez, et al. · The Journal of Physical Chemistry Letters · 40

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Multiscale Visualization and Quantification of the Effect of Binders on the Acidity of Shaped Zeolites

2022 · Koen Kennes, Alexey Kubarev, et al. · ACS Catalysis · 23

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Why Proton Grotthuss Diffusion Slows down at the Air–Water Interface while Water Diffusion Accelerates

2025 · Miguel de la Puente, Axel Gomez, et al. · The Journal of Physical Chemistry Letters · 12

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Assessment of First-Principles Methods in Modeling the Melting Properties of Water

2025 · Li, Yifan, Yang, Bingjia, et al. · arXiv (Cornell University) · 9

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Training Dataset Matters for Machine Learning Interatomic Potentials: Water Simulation as an Example

2025 · Li, Yifan, Yang, Bingjia, et al. · arXiv (Cornell University) · 6

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Neural network potentials for exploring condensed phase chemical reactivity

2024 · Axel Gomez, Miguel de la Puente, et al. · Comptes Rendus Chimie · 6

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

2026 · Yifan Li, Axel Gomez, et al. · The Journal of Chemical Physics · 3

Energy landscape statistics and thermodynamics of a machine-learned model of water

2026 · Ryan J. Szukalo, Andreas Neophytou, et al. · Proceedings of the National Academy of Sciences · 3

Excited-state intramolecular proton transfer dynamics with neural network potentials and nuclear quantum effects

2026 · Axel Gomez, Amke Nimmrich, et al. · The Journal of Chemical Physics · 2

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Time-Resolved X-ray Photoelectron Spectroscopy: Probing Bond Order Rearrangements during Ultrafast Excited-State Intramolecular Proton Transfer

2026 · Victor M. Freixas, Axel Gomez, et al. · Journal of Chemical Theory and Computation · 2

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

2026 · Mohammadhasan Dinpajooh, Michael D. Lacount, et al. · The Journal of Chemical Physics · 2

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Datasets for Custom-trained Machine-learning Interatomic Potentials: Nitric Acid Aqueous Solution

2025 · Dinpajooh, Mohammadhasan, LaCount, Michael, et al. · DOE Pacific Northwest National Laboratory (PNNL) Repository · 1

Author response for "ArcaNN: automated enhanced sampling generation of training sets for chemically reactive machine learning interatomic potentials"

2024 · David, Rolf, Puente, Miguel de la, et al. · Publons reviews and discussion · 1

Photoelectron spectra of alkali metal-ammonia microjets

2020 · Buttersack, Tillmann, Mason, Philip E., et al. · Zenodo (CERN European Organization for Nuclear Research) · 1

Supporting Information

2026 · Axel Gomez, Amke Nimmrich, et al. · AIP Publishing

NNP for "Excited-State Intramolecular Proton Transfer Dynamics with Neural Network Potentials and Nuclear Quantum Effects"

2026 · Gomez, Axel, Nimmrich, Amke, et al. · Zenodo (CERN European Organization for Nuclear Research)

A Machine-Learning Framework for Efficient Ring-Polymer Instanton Rate Calculations

2026 · Zhang, Chenghao, Nimmrich, Amke, et al. · arXiv (Cornell University)

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Works count: 31

Citation count: 656

H-index: 11

I10-index: 11