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Fraux, Guillaume
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1

Surface segregation in high-entropy alloys from alchemical ..:

Mazitov, Arslan ; Springer, Maximilian A ; Lopanitsyna, Nataliya...
Journal of Physics: Materials.  7 (2024)  2 - p. 025007 , 2024
Link: https://doi.org/10.1088/..
 
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2

Modeling high-entropy transition metal alloys with alchemic..:

Lopanitsyna, Nataliya ; Fraux, Guillaume ; Springer, Maximilian A...
Physical Review Materials.  7 (2023)  4 - p. , 2023
Link: https://doi.org/10.1103/..
 
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3

Fast evaluation of spherical harmonics with sphericart:

Bigi, Filippo ; Fraux, Guillaume ; Browning, Nicholas J..
The Journal of Chemical Physics.  159 (2023)  6 - p. , 2023
Link: https://doi.org/10.1063/..
 
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4

scikit-matter : A Suite of Generalisable Machine Learning M..:

Goscinski, Alexander ; Principe, Victor Paul ; Fraux, Guillaume...
Open Research Europe.  3 (2023)  - p. 81 , 2023
Link: https://doi.org/10.12688..
 
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5

scikit-matter : A Suite of Generalisable Machine Learning M..:

Goscinski, Alexander ; Principe, Victor Paul ; Fraux, Guillaume...
Open Research Europe.  3 (2023)  - p. 81 , 2023
Link: https://doi.org/10.12688..
 
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6

Unified theory of atom-centered representations and message..:

Nigam, Jigyasa ; Pozdnyakov, Sergey ; Fraux, Guillaume.
The Journal of Chemical Physics.  156 (2022)  20 - p. , 2022
Link: https://doi.org/10.1063/..
 
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7

Efficient implementation of atom-density representations:

Musil, Félix ; Veit, Max ; Goscinski, Alexander...
The Journal of Chemical Physics.  154 (2021)  11 - p. , 2021
Link: https://doi.org/10.1063/..
 
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8

The role of feature space in atomistic learning:

Goscinski, Alexander ; Fraux, Guillaume ; Imbalzano, Giulio.
Machine Learning: Science and Technology.  2 (2021)  2 - p. 025028 , 2021
Link: https://doi.org/10.1088/..
 
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9

Chemiscope: interactive structure-property explorer for mat..:

Fraux, Guillaume ; Cersonsky, Rose ; Ceriotti, Michele
Journal of Open Source Software.  5 (2020)  51 - p. 2117 , 2020
Link: https://doi.org/10.21105..
 
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10

Structure-property maps with Kernel principal covariates re..:

Helfrecht, Benjamin A ; Cersonsky, Rose K ; Fraux, Guillaume.
Machine Learning: Science and Technology.  1 (2020)  4 - p. 045021 , 2020
Link: https://doi.org/10.1088/..
 
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11

DUBS: A Framework for Developing Directory of Useful Benchm..:

Fine, Jonathan ; Muhoberac, Matthew ; Fraux, Guillaume.
Journal of Chemical Information and Modeling.  60 (2020)  9 - p. 4137-4143 , 2020
Link: https://doi.org/10.1021/..
 
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12

Structure, Dynamics, and Thermodynamics of Intruded Electro..:

Fraux, Guillaume ; Boutin, Anne ; Fuchs, Alain H..
The Journal of Physical Chemistry C.  123 (2019)  25 - p. 15589-15598 , 2019
Link: https://doi.org/10.1021/..
 
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13

Ab Initio Derived Force Fields for Zeolitic Imidazolate Fra..:

Dürholt, Johannes P. ; Fraux, Guillaume ; Coudert, François-Xavier.
Journal of Chemical Theory and Computation.  15 (2019)  4 - p. 2420-2432 , 2019
Link: https://doi.org/10.1021/..
 
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14

Modelling of framework materials at multiple scales: curren..:

Fraux, Guillaume ; Chibani, Siwar ; Coudert, François-Xavier
Philosophical Transactions: Mathematical, Physical and Engineering Sciences.  377 (2019)  2149 - p. 1-17 , 2019
Link: https://www.jstor.org/st..
 
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15

Impacts of the Imidazolate Linker Substitution (CH3, Cl, or..:

Chaplais, Gérald ; Fraux, Guillaume ; Paillaud, Jean-Louis...
The Journal of Physical Chemistry C.  122 (2018)  47 - p. 26945-26955 , 2018
Link: https://doi.org/10.1021/..
 
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