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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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
Gkeka P, Stoltz G, Barati Farimani A, et al. (2020) Machine learning force fields and coarse-grained variables in molecular dynamics: application to materials and biological systems. Journal of Chemical Theory and Computation
Kapil V, Wilkins DM, Lan J, et al. (2020) Inexpensive modeling of quantum dynamics using path integral generalized Langevin equation thermostats. The Journal of Chemical Physics. 152: 124104
Cheng B, Ceriotti M, Tribello GA. (2020) Classical nucleation theory predicts the shape of the nucleus in homogeneous solidification. The Journal of Chemical Physics. 152: 044103
Wang L, Ceriotti M, Markland TE. (2020) Quantum kinetic energy and isotope fractionation in aqueous ionic solutions. Physical Chemistry Chemical Physics : Pccp
Poltavsky I, Kapil V, Ceriotti M, et al. (2020) Accurate description of nuclear quantum effects with high-order perturbed path integrals (HOPPI). Journal of Chemical Theory and Computation
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