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Guillaume Fraux

Showing results (1-10 of 17) with videos related to

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Chemical Communications (Cambridge, England)|June 22, 2017
Recent advances in the computational chemistry of soft porous crystalsGuillaume Fraux, François-Xavier Coudert
The Journal of Chemical Physics|December 8, 2014
Note: Heterogeneous ice nucleation on silver-iodide-like surfacesGuillaume Fraux, Jonathan P K Doye
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences|May 28, 2019
Modelling of framework materials at multiple scales: current practices and open questionsGuillaume Fraux, Siwar Chibani, François-Xavier Coudert
The Journal of Chemical Physics|June 1, 2022
Unified theory of atom-centered representations and message-passing machine-learning schemesJigyasa Nigam, Sergey Pozdnyakov, Guillaume Fraux, et al.
Journal of Chemical Information and Modeling|July 9, 2020
DUBS: A Framework for Developing <u>D</u>irectory of <u>U</u>seful <u>B</u>enchmarking <u>S</u>ets for Virtual ScreeningJonathan Fine, Matthew Muhoberac, Guillaume Fraux, et al.
The Journal of Chemical Physics|August 8, 2023
Fast evaluation of spherical harmonics with sphericartFilippo Bigi, Guillaume Fraux, Nicholas J Browning, et al.
Journal of Chemical Theory and Computation|March 14, 2019
Ab Initio Derived Force Fields for Zeolitic Imidazolate Frameworks: MOF-FF for ZIFsJohannes P Dürholt, Guillaume Fraux, François-Xavier Coudert, et al.
Langmuir : the ACS Journal of Surfaces and Colloids|May 22, 2018
Structure and Dynamics of Water Confined in Imogolite NanotubesLaura Scalfi, Guillaume Fraux, Anne Boutin, et al.
Chemical Society Reviews|October 21, 2017
Forced intrusion of water and aqueous solutions in microporous materials: from fundamental thermodynamics to energy storage devicesGuillaume Fraux, François-Xavier Coudert, Anne Boutin, et al.
Scientific Data|November 21, 2025
Massive Atomic Diversity: a compact universal dataset for atomistic machine learningArslan Mazitov, Sofiia Chorna, Guillaume Fraux, et al.
Pageof 2

Showing results (1-10 of 17) with videos related to

Sort By:
Pageof 2
Chemical Communications (Cambridge, England)|June 22, 2017
Recent advances in the computational chemistry of soft porous crystalsGuillaume Fraux, François-Xavier Coudert
The Journal of Chemical Physics|December 8, 2014
Note: Heterogeneous ice nucleation on silver-iodide-like surfacesGuillaume Fraux, Jonathan P K Doye
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences|May 28, 2019
Modelling of framework materials at multiple scales: current practices and open questionsGuillaume Fraux, Siwar Chibani, François-Xavier Coudert
The Journal of Chemical Physics|June 1, 2022
Unified theory of atom-centered representations and message-passing machine-learning schemesJigyasa Nigam, Sergey Pozdnyakov, Guillaume Fraux, et al.
Journal of Chemical Information and Modeling|July 9, 2020
DUBS: A Framework for Developing <u>D</u>irectory of <u>U</u>seful <u>B</u>enchmarking <u>S</u>ets for Virtual ScreeningJonathan Fine, Matthew Muhoberac, Guillaume Fraux, et al.
The Journal of Chemical Physics|August 8, 2023
Fast evaluation of spherical harmonics with sphericartFilippo Bigi, Guillaume Fraux, Nicholas J Browning, et al.
Journal of Chemical Theory and Computation|March 14, 2019
Ab Initio Derived Force Fields for Zeolitic Imidazolate Frameworks: MOF-FF for ZIFsJohannes P Dürholt, Guillaume Fraux, François-Xavier Coudert, et al.
Langmuir : the ACS Journal of Surfaces and Colloids|May 22, 2018
Structure and Dynamics of Water Confined in Imogolite NanotubesLaura Scalfi, Guillaume Fraux, Anne Boutin, et al.
Chemical Society Reviews|October 21, 2017
Forced intrusion of water and aqueous solutions in microporous materials: from fundamental thermodynamics to energy storage devicesGuillaume Fraux, François-Xavier Coudert, Anne Boutin, et al.
Scientific Data|November 21, 2025
Massive Atomic Diversity: a compact universal dataset for atomistic machine learningArslan Mazitov, Sofiia Chorna, Guillaume Fraux, et al.
Pageof 2