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, A. Savin, "Using the Gini coefficient to characterize the shape of computational chemistry error distributions", Theor. Chem. Acc., vol. 140, 2021, pp. 24. [doi]
S. Al Gharib, A. K. El Omar, A. Naja, A. Deniset-Besseau, S. A. Denisov, P. Pernot, M. Mostafavi, J. Belloni, "Anisotropic Time-Resolved Dynamics of Crystal Growth Induced by a Single Laser Pulse Nucleation", Crystal Growth & Design, vol. 21, 2021, pp. 799–808. [doi]
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]