Michele Ceriotti

Affiliations: 
École Polytechnique Fédérale de Lausanne, Lausanne, Switzerland 
Website:
http://cosmo.epfl.ch/
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"Michele Ceriotti"
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Rose K Cersonsky post-doc 2019- EPFL (Physics Tree)
Rocio Semino post-doc 2017-2018
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Publications

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Litman Y, Kapil V, Feldman YMY, et al. (2024) i-PI 3.0: A flexible and efficient framework for advanced atomistic simulations. The Journal of Chemical Physics. 161
Asgari M, Semino R, Schouwink P, et al. (2024) An Neutron Diffraction and DFT Study of Hydrogen Adsorption in a Sodalite-Type Metal-Organic Framework, Cu-BTTri. European Journal of Inorganic Chemistry. 2019
Goscinski A, Principe VP, Fraux G, et al. (2023) scikit-matter : A Suite of Generalisable Machine Learning Methods Born out of Chemistry and Materials Science. Open Research Europe. 3: 81
Cersonsky RK, Pakhnova M, Engel EA, et al. (2023) A data-driven interpretation of the stability of organic molecular crystals. Chemical Science. 14: 1272-1285
Helfrecht BA, Pireddu G, Semino R, et al. (2022) Ranking the synthesizability of hypothetical zeolites with the sorting hat. Digital Discovery. 1: 779-789
Asgari M, Semino R, Schouwink PA, et al. (2020) Understanding How Ligand Functionalization Influences CO and N Adsorption in a Sodalite Metal-Organic Framework. Chemistry of Materials : a Publication of the American Chemical Society. 32
Dakhchoune M, Villalobos LF, Semino R, et al. (2020) Gas-sieving zeolitic membranes fabricated by condensation of precursor nanosheets. Nature Materials
Cheng B, Mazzola G, Pickard CJ, et al. (2020) Evidence for supercritical behaviour of high-pressure liquid hydrogen. Nature. 585: 217-220
Veit M, Wilkins DM, Yang Y, et al. (2020) Predicting molecular dipole moments by combining atomic partial charges and atomic dipoles. The Journal of Chemical Physics. 153: 024113
Rossi K, Juraskova V, Wischert R, et al. (2020) Simulating solvation and acidity in complex mixtures with first-principles accuracy: the case of CHSOH and HO in phenol. Journal of Chemical Theory and Computation
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