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Using principal component analysis for neural network high-dimensional potential energy surface.
J Chem Phys. 2020 Jun 21;152(23):234103. doi: 10.1063/5.0009264.
J Chem Phys. 2020.
PMID: 32571045
Probing keto-enol tautomerism using photoelectron spectroscopy.
Capron N, Casier B, Sisourat N, Piancastelli MN, Simon M, Carniato S.
Capron N, et al. Among authors: casier b.
Phys Chem Chem Phys. 2015 Aug 14;17(30):19991-6. doi: 10.1039/c5cp02023a.
Phys Chem Chem Phys. 2015.
PMID: 26172609
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Correction: Probing keto-enol tautomerism using photoelectron spectroscopy.
Capron N, Casier B, Sisourat N, Piancastelli MN, Simon M, Carniato S.
Capron N, et al. Among authors: casier b.
Phys Chem Chem Phys. 2017 Dec 20;20(1):695. doi: 10.1039/c7cp90269g.
Phys Chem Chem Phys. 2017.
PMID: 29210389
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Solving the Schrödinger Equation in the Configuration Space with Generative Machine Learning.
Herzog B, Casier B, Lebègue S, Rocca D.
Herzog B, et al. Among authors: casier b.
J Chem Theory Comput. 2023 May 9;19(9):2484-2490. doi: 10.1021/acs.jctc.2c01216. Epub 2023 Apr 12.
J Chem Theory Comput. 2023.
PMID: 37043718
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Assessing the Accuracy of Machine Learning Thermodynamic Perturbation Theory: Density Functional Theory and Beyond.
Herzog B, Chagas da Silva M, Casier B, Badawi M, Pascale F, Bučko T, Lebègue S, Rocca D.
Herzog B, et al. Among authors: casier b.
J Chem Theory Comput. 2022 Mar 8;18(3):1382-1394. doi: 10.1021/acs.jctc.1c01034. Epub 2022 Feb 22.
J Chem Theory Comput. 2022.
PMID: 35191699
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Hybrid localized graph kernel for machine learning energy-related properties of molecules and solids.
Casier B, Chagas da Silva M, Badawi M, Pascale F, Bučko T, Lebègue S, Rocca D.
Casier B, et al.
J Comput Chem. 2021 Jul 30;42(20):1390-1401. doi: 10.1002/jcc.26550. Epub 2021 May 19.
J Comput Chem. 2021.
PMID: 34009668
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Social-ecological assessment of Lake Manyara basin, Tanzania: A mixed method approach.
Janssens de Bisthoven L, Vanhove MPM, Rochette AJ, Hugé J, Verbesselt S, Machunda R, Munishi L, Wynants M, Steensels A, Malan-Meerkotter M, Henok S, Nhiwatiwa T, Casier B, Kiwango YA, Kaitila R, Komakech H, Brendonck L.
Janssens de Bisthoven L, et al. Among authors: casier b.
J Environ Manage. 2020 Aug 1;267:110594. doi: 10.1016/j.jenvman.2020.110594. Epub 2020 Apr 28.
J Environ Manage. 2020.
PMID: 32349949
Review.
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