P4: Page Personnelle de Pascal PERNOT

Il a peut-être créé le monde en 6 jours,
mais Il n'a pas rédigé la doc...




  • Directeur de Recherches au CNRS
  • Membre du groupe de Théorie et Simulation TheoSim
 

Thématiques de recherche





Mél :
T : +33 (0)1 69 15 54 28
F : +33 (0)1 69 15 61 88
 
 

Institut de Chimie Physique (ICP)
Bât. 349 (3eme étage; bureau 06)
Université Paris-Sud
91405 ORSAY Cedex
FRANCE
 




Actualités

Sous presse ou dans les kiosques
P. Pernot, B. Huang and A. Savin, "Impact of non-normal error distributions on the benchmarking and ranking of Quantum Machine Learning models", Mach. Learn.: Sci. Technol., vol. 1, 2020, pp. 035011. [doi]
P. Pernot, A. Savin, "Probabilistic performance estimators for computational chemistry methods: Systematic Improvement Probability and Ranking Probability Matrix. II. Applications", J. Chem. Phys., vol. 152, 2020, pp. 164109. [doi]
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]
R. Kaczmarek, S. Ward, D. Debnath, T. Jacobs, A. D. Stark, D. Korczyński, A. Kumar, M. D. Sevilla, S. A. Denisov, V. Shcherbakov, P. Pernot, M. Mostafavi, R. Dembinski, A. Adhikary, "One Way Traffic: Base-to-backbone Hole Transfer in Nucleoside Phosphorodithioates", Chemistry – A European Journal, vol. 26, 2020, pp. 9495–9505. [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]
J. Bourgalais, N. Carrasco, Q. Changeat, O. Venot, L. Jovanovi\'c, P. Pernot, J. Tennyson, K. L. Chubb, S. N. Yurchenko, G. Tinetti, "Ions in the Thermosphere of Exoplanets: Observable Constraints Revealed by Innovative Laboratory Experiments", ApJ, vol. 895, 2020, pp. 77. [doi]