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, C.; Pineau, N.; Perrier, A. J. Chem. Theory Comput. 2020, 16 (11), 7017–7032 https://doi.org/10.1021/acs.jctc.0c00762 . (b) Villegas, O.; Serrano Martínez, M.; Le Bras, L.; Ottochian, A.; Pineau, N
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Paris-Saclay, in the ThéoSim group. The direction of the PhD will be performed by Dr Fabien Cailliez (fabien.cailliez@universite-paris-saclay.fr , HDR) with a co-direction by Dr Aurélien de la Lande
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mechanisms in porous liquids. Density Functional Theory (DFT) calculations will allow analysis of specific interactions between gas molecules and POSS cages. **Scientific Environment** The PhD will be carried
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Sklodowska-Curie Doctoral Network linking 21 academic, cultural, and industrial partners to develop advanced nondestructive evaluation and data-driven digital tools for paintings and 3D artworks (https
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. FeelGoodAI will be applied to the field of education, where learner mental health and well-being are major concerns. Multiple perspectives and constructs related to well-being underpin several theories from