Guillaume Fraux - Concepedia

Author

Guillaume Fraux

Centre National de la Recherche Scientifique ORCID

Also Known As

Ceriotti, Michele, Fraux, Guillaume, Guillaume Fraux, Sergey Pozdnyakov, Victor Paul Principe

Publications

913

Citations

H-Index

Concepts

All Affiliations

Centre National de la Recherche Scientifique École Polytechnique Fédérale de Lausanne Université Paris Sciences et Lettres Chimie ParisTech Sorbonne Université

About

Guillaume Fraux is an author at Centre National de la Recherche Scientifique specializing in engineering, materials science, and natural sciences.

Top Concepts

#	Concept	H-Index	Publications	Citations
1	Engineering	6	6	206
2	Natural Sciences	4	4	138
3	Applied Physics	2	2	102
4	Chemical Engineering	2	2	68
5	Biomedical Engineering	1	1	15

Guillaume Fraux

Publications

681

Citations

H-Index

Page 1

	Year	Citations
Computational Chemistry Methods for Nanoporous Materials Jack D. Evans, Guillaume Fraux, Romain Gaillac, Chemistry of Materials	2016	85
Ab Initio Derived Force Fields for Zeolitic Imidazolate Frameworks: MOF-FF for ZIFs Johannes P. Dürholt, Guillaume Fraux, François‐Xavier Coudert, Journal of Chemical Theory and Computation	2019	76
Impacts of the Imidazolate Linker Substitution (CH<sub>3</sub>, Cl, or Br) on the Structural and Adsorptive Properties of ZIF-8 Gérald Chaplais, Guillaume Fraux, Jean‐Louis Paillaud, The Journal of Physical Chemistry C	2018	59
On the use of the IAST method for gas separation studies in porous materials with gate-opening behavior Guillaume Fraux, Anne Boutin, Alain H. Fuchs, Adsorption Materials ScienceChemical EngineeringGate-opening BehaviorFluid PropertiesEngineering	2018	53
Modeling high-entropy transition metal alloys with alchemical compression Nataliya Lopanitsyna, Guillaume Fraux, Maximilian A. Springer, Physical Review Materials EngineeringMaterial SimulationElement SegregationComputational ChemistryHigh-entropy Transition Metal	2023	49
Efficient implementation of atom-density representations Félix Musil, Max Veit, Alexander Goscinski, Refubium (Universitätsbibliothek der Freien Universität Berlin) EngineeringMachine LearningRobust Atom-centered RepresentationsComputational ChemistryChemistry	2022	48
i-PI 3.0: A flexible and efficient framework for advanced atomistic simulations Yair Litman, Venkat Kapil, Yotam M. Y. Feldman, The Journal of Chemical Physics	2024	44
Unified theory of atom-centered representations and message-passing machine-learning schemes Jigyasa Nigam, Sergey N. Pozdnyakov, Guillaume Fraux, arXiv (Cornell University)	2022	42
Chemiscope: interactive structure-property explorer for materials and molecules Guillaume Fraux, Rose K. Cersonsky, Michele Ceriotti The Journal of Open Source Software	2020	37
Structure, Dynamics, and Thermodynamics of Intruded Electrolytes in ZIF-8 Guillaume Fraux, Anne Boutin, Alain H. Fuchs, The Journal of Physical Chemistry C EngineeringElectrode-electrolyte InterfaceIntruded ElectrolytesChemistryAqueous Battery	2019	31

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