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Employment (5)

Unité de Catalyse et de Chimie du Solide: Lens, Pas-de-Calais, FR

2022-09-01 to present | Assistant Professor (Université d'Artois)
Employment
Source: Self-asserted source
Bastien CASIER

Laboratory for Computational Molecular Design: Lausanne, Canton de Vaud, CH

2022-04-15 to 2022-06-30 | Post-doctoral Fellow (École Polytechnique Fédérale de Lausanne)
Employment
Source: Self-asserted source
Bastien CASIER

Laboratoire de Physique et Chimie Théorique: Vandœuvre-lès-Nancy, Meurthe-et-Moselle, FR

2020-03-09 to 2022-04-09 | Post-doctoral Fellow (Université de Lorraine)
Employment
Source: Self-asserted source
Bastien CASIER

Laboratoire de Chimie-Physique, Matière et Rayonnement: Paris, Île-de-France, FR

2016-02 to 2016-06 | Internship - Master 2 (Sorbonne Université)
Employment
Source: Self-asserted source
Bastien CASIER

Theoretische Femtochemie: Munich, Bavaria, DE

2015-04 to 2015-08 | Internship - Master 1 (Ludwig-Maximilians Universität)
Employment
Source: Self-asserted source
Bastien CASIER

Education and qualifications (8)

Sorbonne Université: Paris, Île-de-France, FR

2016-10-01 to 2019-09-30 | PhD. in Chemical Physics (Laboratoire de Chimie-Physique, Matière et Rayonnement)
Education
Source: Self-asserted source
Bastien CASIER

Computational Spectroscopy : Bridging Theory and Experiment: Como, Lombardy, IT

2018-09 to 2018-09 | Summer School (1st Edition)
Qualification
Source: Self-asserted source
Bastien CASIER

Paris International School on Advanced Computational Materials Science: Paris, Île-de-France, FR

2018-08 to 2018-08 | Summer School (1st Edition)
Qualification
Source: Self-asserted source
Bastien CASIER

International Summer School in Physical and Chemical Principles in Materials Science: Nanjing, Jiangsu, CN

2018-07 to 2018-07 | Summer School (3rd Edition)
Qualification
Source: Self-asserted source
Bastien CASIER

International Summer School in Electronic Structure Theory : Electron Correlation in Physics and Chemistry: Aussois, Savoie, FR

2017-06 to 2017-06 | Summer School (2nd Edition)
Qualification
Source: Self-asserted source
Bastien CASIER

Sorbonne Université: Paris, Île-de-France, FR

2014 to 2016 | Master in Chemistry - With High Honours (Analytical, Physical and Theoretical Chemistry)
Education
Source: Self-asserted source
Bastien CASIER

Sorbonne Université: Paris, Île-de-France, FR

2012 to 2014 | Bachelor in Physics - With Honours (Chemical Physics)
Education
Source: Self-asserted source
Bastien CASIER

Université Catholique de Lille: Lille, Nord, FR

2010 to 2012 | Bachelor in Biology (Cell Biology - Biochemistry)
Education
Source: Self-asserted source
Bastien CASIER

Professional activities (2)

1st Paris International School on Advanced Computational Materials Science: Paris, Île-de-France, FR

2018-08 | 3rd Best Poster Prize (Study of the tautomerism reaction through a pump-probe experiment)
Distinction
Source: Self-asserted source
Bastien CASIER

3rd International Summer School in Physical and Chemical Principles in Materials Science: Nanjing, Jiangsu, CN

2018-07 | 1st Best Poster Prize (Study of the tautomerism reaction through a pump-probe experiment)
Distinction
Source: Self-asserted source
Bastien CASIER

Works (7)

Solving the Schrödinger Equation in the Configuration Space with Generative Machine Learning

Journal of Chemical Theory and Computation
2023-05-09 | Journal article
DOI: 10.1021/acs.jctc.2c01216
Contributors: Basile Herzog; Bastien Casier; sebastien lebegue; Dario Rocca
Source: Self-asserted source
Bastien CASIER

Assessing the Accuracy of Machine Learning Thermodynamic Perturbation Theory: Density Functional Theory and Beyond

Journal of Chemical Theory and Computation
2022-03-08 | Journal article
DOI: 10.1021/acs.jctc.1c01034
Contributors: Basile Herzog; Maurício Chagas da Silva; Bastien Casier; Michael Badawi; Fabien PASCALE; Tomas Bucko; sebastien lebegue; Dario Rocca
Source: Self-asserted source
Bastien CASIER

Hybrid localized graph kernel for machine learning energy‐related properties of molecules and solids

Journal of Computational Chemistry
2021-07-30 | Journal article
DOI: 10.1002/jcc.26550
Contributors: Bastien Casier; Mauricio Chagas da Silva; Michael Badawi; Fabien Pascale; Tomáš Bučko; Sébastien Lebègue; Dario Rocca
Source: check_circle
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Ionization Energies of Hydrogen-Bonded Dimers with the Outer-Valence Green’s Function Method

Chemical Physics
2021-01 | Journal article
DOI: 10.1016/j.chemphys.2020.111031
Contributors: Bastien Casier; Stéphane Carniato; Tsveta Miteva; Nicolas Sisourat; Nathalie Capron
Source: Self-asserted source
Bastien CASIER

Using Principal Component Analysis for Neural Network High-Dimensional Potential Energy Surface

The Journal of Chemical Physics
2020-06-21 | Journal article
DOI: 10.1063/5.0009264
Contributors: Bastien Casier; Stéphane Carniato; Tsveta Miteva; Nathalie Capron; Nicolas Sisourat
Source: Self-asserted source
Bastien CASIER

Keto–Enol Tautomerism in Micro-Hydrated Acetylacetone: An Atoms-in-Molecules Study

Theoretical Chemistry Accounts
2018-07 | Journal article
DOI: 10.1007/s00214-018-2291-3
Contributors: Bastien Casier; Nicolas Sisourat; Stéphane Carniato; Nathalie Capron
Source: Self-asserted source
Bastien CASIER

Probing Keto–Enol Tautomerism using Photoelectron Spectroscopy

Physical Chemistry Chemical Physics
2015 | Journal article
DOI: 10.1039/c5cp02023a
Contributors: Nathalie Capron; Bastien Casier; Nicolas Sisourat; Maria Novella Piancastelli; Marc Simon; Stéphane Carniato
Source: Self-asserted source
Bastien CASIER

Peer review (1 review for 1 publication/grant)

Review activity for APL machine learning. (1)
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