Search research articles
Contact Us
Filters
Showing results (1-10 of 8) with videos related to
Page
of 1
Sort By:
Physical Chemistry Chemical Physics : PCCP
|
December 9, 2024
Enhancing the electronic and photocatalytic properties of (SnO<sub>2</sub>)<sub></sub>/(TiO<sub>2</sub>)<sub></sub> oxide superlattices for efficient hydrogen production: a first-principles study
Najwa Harrati, Bastien Casier, Adlane Sayede
Journal of Chemical Theory and Computation
|
January 31, 2026
Machine Learning Assisted Selective Configuration Interaction for Accurate Ground and Excited State Calculations
Bastien Casier, Maissa El Hamdi, Basile Herzog
Journal of Chemical Theory and Computation
|
April 12, 2023
Solving the Schrödinger Equation in the Configuration Space with Generative Machine Learning
Basile Herzog, Bastien Casier, Sébastien Lebègue, et al.
The Journal of Chemical Physics
|
June 24, 2020
Using principal component analysis for neural network high-dimensional potential energy surface
Bastien Casier, Stéphane Carniato, Tsveta Miteva, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 15, 2015
Probing keto-enol tautomerism using photoelectron spectroscopy
Nathalie Capron, Bastien Casier, Nicolas Sisourat, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 7, 2017
Correction: Probing keto-enol tautomerism using photoelectron spectroscopy
Nathalie Capron, Bastien Casier, Nicolas Sisourat, et al.
Journal of Computational Chemistry
|
May 19, 2021
Hybrid localized graph kernel for machine learning energy-related properties of molecules and solids
Bastien Casier, Mauricio Chagas da Silva, Michael Badawi, et al.
Journal of Chemical Theory and Computation
|
February 22, 2022
Assessing the Accuracy of Machine Learning Thermodynamic Perturbation Theory: Density Functional Theory and Beyond
Basile Herzog, Maurício Chagas da Silva, Bastien Casier, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 8) with videos related to
Sort By:
Page
of 1
Physical Chemistry Chemical Physics : PCCP
|
December 9, 2024
Enhancing the electronic and photocatalytic properties of (SnO<sub>2</sub>)<sub></sub>/(TiO<sub>2</sub>)<sub></sub> oxide superlattices for efficient hydrogen production: a first-principles study
Najwa Harrati, Bastien Casier, Adlane Sayede
Journal of Chemical Theory and Computation
|
January 31, 2026
Machine Learning Assisted Selective Configuration Interaction for Accurate Ground and Excited State Calculations
Bastien Casier, Maissa El Hamdi, Basile Herzog
Journal of Chemical Theory and Computation
|
April 12, 2023
Solving the Schrödinger Equation in the Configuration Space with Generative Machine Learning
Basile Herzog, Bastien Casier, Sébastien Lebègue, et al.
The Journal of Chemical Physics
|
June 24, 2020
Using principal component analysis for neural network high-dimensional potential energy surface
Bastien Casier, Stéphane Carniato, Tsveta Miteva, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 15, 2015
Probing keto-enol tautomerism using photoelectron spectroscopy
Nathalie Capron, Bastien Casier, Nicolas Sisourat, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 7, 2017
Correction: Probing keto-enol tautomerism using photoelectron spectroscopy
Nathalie Capron, Bastien Casier, Nicolas Sisourat, et al.
Journal of Computational Chemistry
|
May 19, 2021
Hybrid localized graph kernel for machine learning energy-related properties of molecules and solids
Bastien Casier, Mauricio Chagas da Silva, Michael Badawi, et al.
Journal of Chemical Theory and Computation
|
February 22, 2022
Assessing the Accuracy of Machine Learning Thermodynamic Perturbation Theory: Density Functional Theory and Beyond
Basile Herzog, Maurício Chagas da Silva, Bastien Casier, et al.
Page
of 1