Guillaume Fraux

8PUBLICATIONS
93CO-AUTHORS
Deep learningSemi- and unsupervised learningFormal methods for softwareApproximation theory and asymptotic methodsIntegrable systems (classical and quantum)
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Publications (8)

|Feb 11, 2026
metatensor and metatomic: Foundational libraries for interoperable atomistic machine learning.

Filippo Bigi, Joseph W Abbott, Philip Loche

|Mar 04, 2025
PLUMED Tutorials: A collaborative, community-driven learning ecosystem.

Gareth A Tribello, Massimiliano Bonomi, Giovanni Bussi

|Aug 14, 2024
i-PI 3.0: A flexible and efficient framework for advanced atomistic simulations.

Yair Litman, Venkat Kapil, Yotam M Y Feldman

|Jan 18, 2024
scikit-matter : A Suite of Generalisable Machine Learning Methods Born out of Chemistry and Materials Science.

Alexander Goscinski, Christian A Jorgensen, Victor Paul Principe

|Aug 08, 2023
Fast evaluation of spherical harmonics with sphericart.

Filippo Bigi, Guillaume Fraux, Nicholas J Browning

|Jun 01, 2022
Unified theory of atom-centered representations and message-passing machine-learning schemes.

Jigyasa Nigam, Sergey Pozdnyakov, Guillaume Fraux

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Frequent Collaborators

7 joint publications

Michele Ceriotti

2 joint publications

Matthias Kellner

2 joint publications

Davide Tisi

2 joint publications

Filippo Bigi