Fraux, Guillaume
- PET-MAD, a lightweight universal interatomic potential for advanced materials modeling
2025/03/18 by Mazitov, Arslan, Bigi, Filippo, Kellner, Matthias +6 · 11 citations
#Chemical Physics (physics.chem-ph) #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Materials Science (cond-mat.mtrl-sci)
- Surface segregation in high-entropy alloys from alchemical machine learning
2023/10/11 by Arslan Mazitov, Mazitov, Arslan, Maximilian A. Springer +9 · 4 citations
Engineering · Materials Science · #Advanced Materials Characterization Techniques #FOS: Physical sciences #High Entropy Alloys Studies #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci)
- Modeling high-entropy transition-metal alloys with alchemical compression
2022/12/26 by Nataliya Lopanitsyna, Lopanitsyna, Nataliya, Guillaume Fraux +7 · 3 citations
Engineering · Materials Science · #Advanced Materials Characterization Techniques #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #High Entropy Alloys Studies #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci)
- Structure-Property Maps with Kernel Principal Covariates Regression
2020/02/12 by Helfrecht, Benjamin A., Cersonsky, Rose K., Fraux, Guillaume +1 · 2 citations
#Chemical Physics (physics.chem-ph) #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Machine Learning (stat.ML) #Materials Science (cond-mat.mtrl-sci)
- PLUMED Tutorials: a collaborative, community-driven learning ecosystem
2024/11/29 by Gareth A. Tribello, Massimiliano Bonomi, Tribello, Gareth A. +124 · 1 voice · 5 citations
Computer Science · Decision Sciences · Engineering · Psychology · #Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Innovative Teaching and Learning Methods #Open Education and E-Learning #Physics Education (physics.ed-ph)
- Fast evaluation of spherical harmonics with sphericart
2023/02/16 by Bigi, Filippo, Fraux, Guillaume, Browning, Nicholas J. +1 · 3 citations
#Chemical Physics (physics.chem-ph) #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG)
- Metatensor and metatomic: foundational libraries for interoperable atomistic machine learning
2025/08/21 by Filippo Bigi, Joseph W. Abbott, Bigi, Filippo +27 · 1 voice · 5 citations
#physics.chem-ph
- The role of feature space in atomistic learning
2020/09/06 by Goscinski, Alexander, Fraux, Guillaume, Imbalzano, Giulio +1 · 1 citation
#Computational Physics (physics.comp-ph) #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (stat.ML) #Materials Science (cond-mat.mtrl-sci)
- Massive Atomic Diversity: a compact universal dataset for atomistic machine learning
2025/06/24 by Mazitov, Arslan, Chorna, Sofiia, Fraux, Guillaume +4 · 6 citations
#Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci)