Guillaume Deffrennes

Publications

Article dans une revue (12)

Active learning for predicting the enthalpy of mixing in binary liquids based on ab initio molecular dynamics Quentin Bizot,Ryo Tamura,Guillaume Deffrennes Computational Materials Science, 2026, 266, pp.114568. ⟨10.1016/j.commatsci.2026.114568⟩ Article dans une revue hal-05500025v1
aLLoyM: a large language model for alloy phase diagram prediction Yuna Oikawa,Guillaume Deffrennes,Rintaro Shimayoshi,Taichi Abe,Ryo Tamuraet al. npj Computational Materials, 2026, 12 (1), pp.97. ⟨10.1038/s41524-026-01966-6⟩ Article dans une revue hal-05542561v1
AIPHAD, an active learning web application for visual understanding of phase diagrams Ryo Tamura,Haruhiko Morito,Guillaume Deffrennes,Masanobu Naito,Yoshitaro Noseet al. Communications Materials, 2024, 5 (1), pp.139. ⟨10.1038/s43246-024-00580-7⟩ Article dans une revue hal-04728443v1
Theoretical and data-driven approaches to semiconductors and dielectrics: from prediction to experiment Fumiyasu Oba,Takayuki Nagai,Ryoji Katsube,Yasuhide Mochizuki,Masatake Tsujiet al. Science and Technology of Advanced Materials, 2024, ⟨10.1080/14686996.2024.2423600⟩ Article dans une revue hal-04822051v1
Data-driven study of the enthalpy of mixing in the liquid phase Guillaume Deffrennes,Bengt Hallstedt,Taichi Abe,Quentin Bizot,Evelyne Fischeret al. Calphad, 2024, 87, pp.102745. ⟨10.1016/j.calphad.2024.102745⟩ Article dans une revue hal-04735005v2
Performance of uncertainty-based active learning for efficient approximation of black-box functions in materials science Ai Koizumi,Guillaume Deffrennes,Kei Terayama,Ryo Tamura Scientific Reports, 2024, 14 (27019), ⟨10.1038/s41598-024-76800-4⟩ Article dans une revue hal-04822050v1
A framework to predict binary liquidus by combining machine learning and CALPHAD assessments Guillaume Deffrennes,Kei Terayama,Taichi Abe,Etsuko Ogamino,Ryo Tamura Materials & Design, 2023, 232, pp.112111. ⟨10.1016/j.matdes.2023.112111⟩ Article dans une revue hal-04187514v1
Machine-Learning-Based phase diagram construction for high-throughput batch experiments Ryo Tamura,Guillaume Deffrennes,Kwangsik Han,Taichi Abe,Haruhiko Moritoet al. Science and Technology of Advanced Materials: Methods, 2022, 2 (1), pp.153 - 161. ⟨10.1080/27660400.2022.2076548⟩ Article dans une revue hal-04728516v1
On models to describe the volume in the context of establishing high-pressure Gibbs energy databases Guillaume Deffrennes,Jean-Marc Joubert,Benoit Oudot Calphad, 2022, 78, pp.102435. ⟨10.1016/j.calphad.2022.102435⟩ Article dans une revue hal-03747633v1
A self-consistent model to describe the temperature dependence of the bulk modulus, thermal expansion and molar volume compatible with 3rd generation CALPHAD databases Guillaume Deffrennes,Benoit Oudot Calphad, 2021, 74, pp.102291. ⟨10.1016/j.calphad.2021.102291⟩ Article dans une revue hal-04145846v1
Thermodynamics and structural properties of CaO: A molecular dynamics simulation study Cecilia M.S. Alvares,Guillaume Deffrennes,Alexander Pisch,Noel Jakse The Journal of Chemical Physics, 2020, ⟨10.1063/1.5141841⟩ Article dans une revue hal-03020747v1
Synthesis, crystallographic structure and thermodynamic properties of T2-Al2MgC2 Guillaume Deffrennes,Bruno Gardiola,Erwann Jeanneau,Georges Mikaelian,Benigni P.et al. Journal of Solid State Chemistry, 2019, 273, pp.150-157. ⟨10.1016/j.jssc.2019.02.039⟩ Article dans une revue hal-02062499v1

Communication dans un congrès (9)

Data-driven study of the enthalpy of mixing in liquid alloys Guillaume Deffrennes,Quentin Bizot,Bengt Hallstedt,Taichi Abe,Evelyne Fischeret al. FEMS EUROMAT 2025, Sep 2025, Granada (Spain), Spain Communication dans un congrès hal-05340249v1
Thermodynamic study of Zr-Ni-Al system Manon Bornand,M. Fivel,Guillaume Deffrennes,Annie Antoni-Zdziobek,Luanna Carvalho de Souzaet al. THERMEC2025, Jun 2025, Tours, France Communication dans un congrès hal-05381148v1
A Data-Driven Study of the Thermodynamic Properties of Mixing for Improved Phase Prediction in Complex Concentrated Alloys Guillaume Deffrennes,Runan Xie,Quentin Bizot,Ryo Tamura Journées annuelles 2025 du GdR HEA (Alliages à Haute Entropie et de composition complexe), Apr 2025, Lyon, France Communication dans un congrès hal-05407428v1
Genetic Algorithm integrated with Machine Learning for high toughness High-Entropy Alloy design Caroline Binde Stoco,Francisco Gil Coury,Guillaume Deffrennes,Yannick Champion XXII B-MRS Meeting, Sep 2024, São Paulo, Brazil Communication dans un congrès hal-04822059v1
Using machine learning to study liquids Guillaume Deffrennes Journée de prospective sur la physicochimie des liquides à Haute Températures, Nov 2024, Paris, France Communication dans un congrès hal-04830343v1
Atomistic simulations and active learning of the enthalpy of mixing in liquid and solid solutions Quentin Bizot,Noël Jakse,Jean-Claude Crivello,Ryo Tamura,Guillaume Deffrennes CALPHAD 2024, May 2024, Mannheim, Germany Communication dans un congrès hal-04822053v1
Active learning approach and atomistic simulations for the prediction of the enthalpy of mixing in the liquid Quentin Bizot,Noël Jakse,Ryo Tamura,Guillaume Deffrennes TOFA 2024: 19th Discussion Meeting on Thermodynamics of Alloys, Sep 2024, Lyon, France Communication dans un congrès hal-04822052v1
Impact of data quality on machine learning and improvement of datasets on liquid alloys Guillaume Deffrennes Data-driven materials R&D activities, A bilateral dialogue: France-Japan, Office for Science and Technology of the Embassy of France in Japan, the International Research Laboratory Laboratory for INnovative Key materials and structures (LINK) and the National Institute for Materials Science (NIMS), Dec 2024, Tokyo, Japan Communication dans un congrès hal-04830337v1
THERMAL ANALYSIS FOR MODELING ASSESSMENT AND PYROMETER CALIBRATION Mathias Desseaux,Rodica Chiriac,Francois Toche,Guillaume Deffrennes,Olivier Dezelluset al. 52 eme Journées de Calorimétrie et d’Analyse Thermique (JCAT-52), Jun 2022, Colmar, Alsace, France Communication dans un congrès hal-04751878v1

Poster de conférence (5)

PROCESSING OF A ZR-BASED BULK METALLIC GLASS Manon Bornand,Marc Fivel,Guillaume Deffrennes,Alexis Lenain,Laura Mangournyet al. 19th Discussion Meeting of Thermodynamics of alloy, Sep 2024, Lyon, France Poster de conférence hal-04920008v1
A data-driven study of the enthalpy of mixing in the liquid phase Guillaume Deffrennes,Bengt Hallstedt,Taichi Abe,Quentin Bizot,Evelyne Fischeret al. CALPHAD 2024, May 2024, Mannheim, Germany Poster de conférence hal-04822056v1
A data-driven study of the enthalpy of mixing in the liquid phase Guillaume Deffrennes,Bengt Hallstedt,Taichi Abe,Quentin Bizot,Evelyne Fischeret al. TOFA 2024: 19th Discussion Meeting on Thermodynamics of Alloys, Sep 2024, Lyon, France Poster de conférence hal-04822054v1
Machine learning methods to help construct phase diagrams Guillaume Deffrennes,Kei Terayama,Ryo Tamura TOFA 2024: 19th Discussion Meeting on Thermodynamics of Alloys, Sep 2024, Lyon, France Poster de conférence hal-04822055v1
Experimental study and thermodynamic modelling of the Al-C-Mg system Guillaume Deffrennes,Bruno Gardiola,Erwann Jeanneau,Georges Mikaelian,Benigni P.et al. International Conference on Computer Coupling of Phase Diagrams and Thermochemistry, CALPHAD 2019, Jun 2019, Singapore, Singapore Poster de conférence hal-04753621v1

Autre publication scientifique (1)

Applications du machine learning en thermodynamique des matériaux Guillaume Deffrennes 2024 Autre publication scientifique hal-04830352v1