P4: Page Personnelle de Pascal PERNOT

Publications

Mes conseil de lecture...

Quelques articles récents et représentatifs de mes travaux.

P. Pernot, A. Savin, "Probabilistic performance estimators for computational chemistry methods: Systematic Improvement Probability and Ranking Probability Matrix. I. Theory", J. Chem. Phys., vol. 152, 2020, pp. 164108. [doi]
F. Cailliez, P. Pernot, F. Rizzi, R. Jones, O. Knio, G. Arampatzis, P. Koumoutsakos, Uncertainty Quantification in Multiscale Materials Modeling, Yan Wang and David L. McDowell ed. Woodhead Publishing, 2020, ch. ch. Bayesian calibration of force fields for molecular simulations, pp. 169-227. [doi]
L. Desquilbet, S. Granger, B. Hejblum, A. Legrand, P. Pernot, N. P. Rougier, E. de Castro Guerra, M. Courbin-Coulaud, L. Duvaux, P. Gravier, G. Le Campion, S. Roux, F. Santos, Vers une recherche reproductible : Faire évoluer ses pratiques, 2019.
C. Ruckebusch, M. Sliwa, P. Pernot, A. d. Juan, R. Tauler, "Comprehensive data analysis of femtosecond transient absorption spectra: A review", J. Photochem. Photobiol., C, vol. 13, 2012, pp. 1–27. [doi]
S. Plessis, N. Carrasco and P. Pernot, "Knowledge-based probabilistic representations of branching ratios in chemical networks: the case of dissociative recombinations", J. Chem. Phys., vol. 133, 2010, pp. 134110. [doi]
E. Hébrard, P. Pernot, M. Dobrijevic, N. Carrasco, A. Bergeat, K. M. Hickson, A. Canosa, S. D. L. Picard, I. R. Sims, "How measurements of rate coefficients at low temperature increase the predictivity of photochemical models of Titan's atmosphere", J. Phys. Chem. A, vol. 113, 2009, pp. 11227–11237. [doi]

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