Michele Ceriotti
Affiliations: | École Polytechnique Fédérale de Lausanne, Lausanne, Switzerland |
Website:
http://cosmo.epfl.ch/Google:
"Michele Ceriotti"Children
Sign in to add trainee| 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 |