E-LIB Suche - Ergebnisse für: Coudert, François-Xavier

1

Challenges and Opportunities of Molecular Simulations for N..:

Evans, Jack D. ; Coudert, François-Xavier
Accounts of Materials Research. 5 (2024) 5 - p. 640-647 , 2024

Link: https://doi.org/10.1021/..

2

Multiscale Modeling of Physical Properties of Nanoporous Fr..:

Hardiagon, Arthur ; Coudert, François-Xavier
Accounts of Chemical Research. 57 (2024) 11 - p. 1620-1632 , 2024

Link: https://doi.org/10.1021/..

3

Staggered structural dynamic-mediated selective adsorption ..:

Futamura, Ryusuke ; Iiyama, Taku ; Ueda, Takahiro...
Nature Communications. 15 (2024) 1 - p. , 2024

Link: https://doi.org/10.1038/..

4

Machine learning interatomic potentials for amorphous zeoli..:

Castel, Nicolas ; André, Dune ; Edwards, Connor..
Digital Discovery. 3 (2024) 2 - p. 355-368 , 2024

Link: https://doi.org/10.1039/..

5

Prediction of the Diffusion Coefficient through Machine Lea..:

Ren, Emmanuel ; Coudert, François-Xavier
The Journal of Physical Chemistry C. 128 (2024) 16 - p. 6917-6926 , 2024

Link: https://doi.org/10.1021/..

6

Failure to reproduce the results of "A new transferable int..:

Coudert, François-Xavier
Journal of Non-Crystalline Solids. 615 (2023) - p. 122423 , 2023

Link: https://doi.org/10.1016/..

7

Predictive Thermodynamic Model for Intrusion of Electrolyte..:

de Izarra, Ambroise ; Coudert, François-Xavier ; Fuchs, Alain H..
Chemistry of Materials. , 2023

Link: https://doi.org/10.1021/..

8

Molecular Simulation of the Impact of Defects on Electrolyt..:

de Izarra, Ambroise ; Coudert, François-Xavier ; Fuchs, Alain H..
Langmuir. , 2023

Link: https://doi.org/10.1021/..

9

Enhancing Gas Separation Selectivity Prediction through Geo..:

Ren, Emmanuel ; Coudert, François-Xavier
Chemistry of Materials. , 2023

Link: https://doi.org/10.1021/..

10

Alchemical Osmostat for Monte Carlo Simulation: Sampling Aq..:

Izarra, Ambroise de ; Coudert, François-Xavier ; Fuchs, Alain H..
The Journal of Physical Chemistry B. 127 (2023) 3 - p. 766-776 , 2023

Link: https://doi.org/10.1021/..

11

Computation of Finite Temperature Mechanical Properties of ..:

Castel, Nicolas ; Coudert, François-Xavier
Chemistry of Materials. , 2023

Link: https://doi.org/10.1021/..

12

Rapid adsorption enthalpy surface sampling (RAESS) to chara..:

Ren, Emmanuel ; Coudert, François-Xavier
Chemical Science. 14 (2023) 7 - p. 1797-1807 , 2023

Link: https://doi.org/10.1039/..

13

Modelling and advanced characterization of framework materi..:

Coudert, François-Xavier ; Hobday, Claire L. ; Horike, Satoshi.
Communications Chemistry. 6 (2023) 1 - p. , 2023

Link: https://doi.org/10.1038/..

14

Prediction of Thermal Properties of Zeolites through Machin..:

Ducamp, Maxime ; Coudert, François-Xavier
The Journal of Physical Chemistry C. 126 (2022) 3 - p. 1651-1660 , 2022

Link: https://doi.org/10.1021/..

15

Defective Nature of CdSe Quantum Dots Embedded in Inorganic..:

Li, Wenke ; Li, Kai ; Zhao, Xiujian..
Journal of the American Chemical Society. 144 (2022) 25 - p. 11296-11305 , 2022

Link: https://doi.org/10.1021/..