Accéder directement au contenu

Pascal Pernot

52%
Libre accès
143
Documents
Affiliations actuelles
  • 1042018
Identifiants chercheurs
Contact

Domaines de recherche

Analyse de données, Statistiques et Probabilités [physics.data-an] Chimie théorique et/ou physique

Publications

Image document

Adjusting the band gap of CsPbBr3−yXy (X = Cl, I) for optimal interfacial charge transfer and enhanced photocatalytic hydrogen generation

Marija Knezevic , Vien-Duong Quach , Isabelle Lampre , Marie Erard , Pascal Pernot
Journal of Materials Chemistry A, 2023, 11 (12), pp.6226-6236. ⟨10.1039/D2TA09920A⟩
Article dans une revue hal-04084392v1
Image document

A Novel Pump–Pump–Probe Resonance Raman Approach Featuring Light-Induced Charge Accumulation on a Model Photosystem

Daniel H Cruz Neto , Juan Soto , Nishith Maity , Christophe Lefumeux , Thai Nguyen
Journal of Physical Chemistry Letters, 2023, 14 (20), pp.4789-4795. ⟨10.1021/acs.jpclett.3c00594⟩
Article dans une revue hal-04183215v1
Image document

Calibration in Machine Learning Uncertainty Quantification: beyond consistency to target adaptivity

Pascal Pernot
APL Machine Learning, 2023, 1 (4), pp.046121. ⟨10.1063/5.0174943⟩
Article dans une revue hal-04356591v1
Image document

A new method for in vivo assessment of corneal transparency using spectral-domain OCT

Maëlle Vilbert , Romain Bocheux , Cristina Georgeon , Vincent Borderie , Pascal Pernot
PLoS ONE, 2023, 18 (10), pp.e0291613. ⟨10.1371/journal.pone.0291613⟩
Article dans une revue hal-04245633v1
Image document

Sensitivity analysis and uncertainty propagation for SMA-TB potentials

M Trochet , Fabienne Berthier , Pascal Pernot
Computational Materials Science, 2022, 213, pp.111641. ⟨10.1016/j.commatsci.2022.111641⟩
Article dans une revue hal-03708211v1
Image document

Prediction uncertainty validation for computational chemists

Pascal Pernot
Journal of Chemical Physics, 2022, 157, pp.144103. ⟨10.1063/5.0109572⟩
Article dans une revue hal-03784435v1

The long road to calibrated prediction uncertainty in computational chemistry

Pascal Pernot
Journal of Chemical Physics, 2022, 156 (11), pp.114109. ⟨10.1063/5.0084302⟩
Article dans une revue hal-03625781v1
Image document

DFT Exchange: Sharing Perspectives on the Workhorse of Quantum Chemistry and Materials Science

Andrew Michael Teale , Trygve Helgaker , Andreas Savin , Carlo Adano , Bálint Aradi
Physical Chemistry Chemical Physics, 2022, 24 (47), pp.28700-28781. ⟨10.1039/D2CP02827A⟩
Article dans une revue hal-03770771v1
Image document

Should We Gain Confidence from the Similarity of Results between Methods?

Pascal Pernot , Andreas Savin
Article dans une revue hal-03566402v1
Image document

A missing link in the nitrogen-rich organic chain on Titan

Nathalie Carrasco , Jérémy Bourgalais , Ludovic Vettier , Pascal Pernot , Emmanuel Giner
Astronomy and Astrophysics - A&A, 2022, 663, pp.A165. ⟨10.1051/0004-6361/202141025⟩
Article dans une revue insu-03656058v3

Modulation of the Directionality of Hole Transfer between the Base and the Sugar-Phosphate Backbone in DNA with the Number of Sulfur Atoms in the Phosphate Group

Sergey Denisov , Samuel Ward , Viacheslav Shcherbakov , Alexander D. Stark , Renata Kaczmarek
Journal of Physical Chemistry B, 2022, 126, pp.430-442. ⟨10.1021/acs.jpcb.1c09068⟩
Article dans une revue hal-04057253v1
Image document

Ion-driven organic chemistry for Titan-like atmospheres: Implications for N-dominated super-Earth exoplanets

Jérémy Bourgalais , Nathalie Carrasco , Yamila Miguel , Olivia Venot , Pascal Pernot
Astronomy and Astrophysics - A&A, 2021, 654, A171 (9p.). ⟨10.1051/0004-6361/202141328⟩
Article dans une revue insu-03321892v1
Image document

Anisotropic Time-Resolved Dynamics of Crystal Growth Induced by a Single Laser Pulse Nucleation

Sarah Al Gharib , Abdel Karim El Omar , Adnan Naja , Ariane Deniset-Besseau , Sergey Denisov
Crystal Growth & Design, 2021, 21 (2), pp.799-808. ⟨10.1021/acs.cgd.0c01016⟩
Article dans une revue hal-03322576v1
Image document

Using the Gini coefficient to characterize the shape of computational chemistry error distributions

Pascal Pernot , Andreas Savin
Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2021, 140 (3), pp.24. ⟨10.1007/s00214-021-02725-0⟩
Article dans une revue hal-03148583v1

Probabilistic performance estimators for computational chemistry methods: Systematic improvement probability and ranking probability matrix. I. Theory

Pascal Pernot , Andreas Savin
Journal of Chemical Physics, 2020, 152 (16), pp.164108. ⟨10.1063/5.0006202⟩
Article dans une revue hal-02563578v1

Impact of non-normal error distributions on the benchmarking and ranking of Quantum Machine Learning models

Pascal Pernot , Bing Huang , Andreas Savin
Machine Learning: Science and Technology, 2020, ⟨10.1088/2632-2153/aba184⟩
Article dans une revue hal-02557805v1

Probabilistic performance estimators for computational chemistry methods: Systematic improvement probability and ranking probability matrix. II. Applications

Pascal Pernot , Andreas Savin
Journal of Chemical Physics, 2020, 152 (16), pp.164109. ⟨10.1063/5.0006204⟩
Article dans une revue hal-02563582v1
Image document

Ions in the Thermosphere of Exoplanets: Observable Constraints Revealed by Innovative Laboratory Experiments

Jérémy Bourgalais , Nathalie Carrasco , Quentin Changeat , Olivia Venot , Lora Jovanovic
The Astrophysical Journal, 2020, 895 (2), pp.77. ⟨10.3847/1538-4357/ab8e2d⟩
Article dans une revue insu-02792319v1
Image document

One Way Traffic: Base‐to‐backbone Hole Transfer in Nucleoside Phosphorodithioates

Renata Kaczmarek , Samuel Ward , Dipra Debnath , Taisiya Jacobs , Alexander Stark
Chemistry - A European Journal, 2020, 26 (43), pp.9495-9505. ⟨10.1002/chem.202000247⟩
Article dans une revue hal-02563589v1

Mechanism of (SCN)2·– Formation and Decay in Neutral and Basic KSCN Solution under Irradiation from a Pico- to Microsecond Range

Furong Wang , Pascal Pernot , Jean-Louis Marignier , Pierre Archirel , Mehran Mostafavi
Journal of Physical Chemistry B, 2019, 123 (30), pp.6599-6608. ⟨10.1021/acs.jpcb.9b05560⟩
Article dans une revue hal-02355248v1
Image document

Acknowledging User Requirements for Accuracy in Computational Chemistry Benchmarks

Andreas Savin , Pascal Pernot
Journal of Inorganic and General Chemistry / Zeitschrift für anorganische und allgemeine Chemie, 2019, 14 (8), pp.e0221707. ⟨10.1002/zaac.202000109⟩
Article dans une revue hal-02563664v1
Image document

Low-Pressure EUV Photochemical Experiments: Insight on the Ion Chemistry Occurring in Titan's Atmosphere

Jérémy Bourgalais , Nathalie Carrasco , Ludovic Vettier , Pascal Pernot
Journal of Geophysical Research Space Physics, 2019, 124 (11), pp.9214-9228. ⟨10.1029/2019JA026953⟩
Article dans une revue insu-02343351v1
Image document

In situ investigation of neutrals involved in the formation of Titan tholins

David Dubois , Nathalie Carrasco , Marie Petrucciani , Ludovic Vettier , Sarah Tigrine
Icarus, 2019, 317, pp.182-196. ⟨10.1016/j.icarus.2018.07.006⟩
Article dans une revue hal-01832003v1
Image document

Quantitative measures of corneal transparency, derived from objective analysis of depth-resolved corneal images, demonstrated with full-field optical coherence tomographic microscopy

Romain Bocheux , Pascal Pernot , Vincent Borderie , Karsten Plamann , Kristina Irsch
PLoS ONE, 2019, 14 (8), pp.e0221707. ⟨10.1371/journal.pone.0221707⟩
Article dans une revue hal-02297695v1
Image document

Probabilistic performance estimators for computational chemistry methods: The empirical cumulative distribution function of absolute errors

Pascal Pernot , Andreas Savin
Journal of Chemical Physics, 2018, 148 (24), pp.241707. ⟨10.1063/1.5016248⟩
Article dans une revue hal-02010898v1

Oxygen anion (O − ) and hydroxide anion (HO − ) reactivity with a series of old and new refrigerants

Clotilde Le Vot , Joel Lemaire , Pascal Pernot , Michel Heninger , Helene Mestdagh
Journal of Mass Spectrometry, 2018, 53 (4), pp.336-352. ⟨10.1002/jms.4054⟩
Article dans une revue hal-02322650v1

Picosecond Pulse Radiolysis Study on the Radiation-Induced Reactions in Neat Tributyl Phosphate

Furong Wang , Gregory Horne , Pascal Pernot , Pierre Archirel , Mehran Mostafavi
Journal of Physical Chemistry B, 2018, 122 (28), pp.7134-7142. ⟨10.1021/acs.jpcb.8b03715⟩
Article dans une revue hal-02106988v1
Image document

Direct observation of the oxidation of DNA bases by phosphate radicals formed under radiation: a model of the backbone-to-base hole transfer

Jun Ma , Jean-Louis Marignier , Pascal Pernot , Chantal Houée-Levin , Anil Kumar
Physical Chemistry Chemical Physics, 2018, 20, pp.14927-14937. ⟨10.1039/C8CP00352A⟩
Article dans une revue hal-04130006v1

Ultrafast Electron Attachment and Hole Transfer Following Ionizing Radiation of Aqueous Uridine Monophosphate

Jun Ma , Sergey Denisov , Jean-Louis Marignier , Pascal Pernot , Amitava Adhikary
Journal of Physical Chemistry Letters, 2018, 9 (17), pp.5105-5109. ⟨10.1021/acs.jpclett.8b02170⟩
Article dans une revue hal-02365751v1
Image document

The parameter uncertainty inflation fallacy

Pascal Pernot
Journal of Chemical Physics, 2017, 147 (10), pp.104102. ⟨10.1063/1.4994654⟩
Article dans une revue hal-03760206v1
Image document

Observation and Simulation of the Transient Anion Oligomers (LiClO4)n (n = 1-4) in Diethyl Carbonate LiClO4 Solutions

Furong Wang , Pascal Pernot , Pierre Archirel , Daniel Ortiz , Sophie Le Caër
The Journal of physical chemistry, 2017, 121, pp.7464-7472. ⟨10.1021/acs.jpcb.7b04982⟩
Article dans une revue cea-01566287v1
Image document

When does a functional correctly describe both the structure and the energy of the transition state?

Neil Qiang Su , Pascal Pernot , Xin Xu , Andreas Savin
Journal of Molecular Modeling, 2017, 23 (2), pp.65. ⟨10.1007/s00894-017-3229-8⟩
Article dans une revue hal-01472132v1
Image document

On the Use of Benchmarks for Multiple Properties

Bartolomeo Civalleri , Roberto Dovesi , Pascal Pernot , Davide Presti , Andreas Savin
Computation, 2016, 4 (2), pp.20. ⟨10.3390/computation4020020⟩
Article dans une revue hal-01415837v1

Identification of Transient Radical Anions (LiClO 4 ) n − (n = 1−3) in THF Solutions: Experimental and Theoretical Investigation on Electron Localization in Oligomers

Jun Ma , Pierre Archirel , Pascal Pernot , Uli Schmidhammer , Sophie Le Caër
Journal of Physical Chemistry B, 2016, 120, pp.773-784. ⟨10.1021/acs.jpcb.5b11315⟩
Article dans une revue cea-01278020v1

Energetics of Photoinduced Charge Migration within the Tryptophan Tetrad of an Animal (6–4) Photolyase

Fabien Cailliez , Pavel Müller , Thiago Firmino , Pascal Pernot , Aurelien de La Lande
Journal of the American Chemical Society, 2016, 138 (6), pp.1904-1915. ⟨10.1021/jacs.5b10938⟩
Article dans une revue hal-02290025v1
Image document

Molecular Isomer Identification of Titan’s Tholins Organic Aerosols by Photoelectron/Photoion Coincidence Spectroscopy Coupled to VUV Synchrotron Radiation

Barbara Cunha de Miranda , Gustavo A. Garcia , François Gaie-Levrel , Ahmed Mahjoub , Thomas Gautier
Journal of Physical Chemistry A, 2016, 120 (33), pp.6529-6540. ⟨10.1021/acs.jpca.6b03346⟩
Article dans une revue insu-01353953v1
Image document

Dissociative recombination exalts molecular growth in N2 /CH4 plasmas

Pascal Pernot , Zhe Peng , S. Plessis , Nathalie Carrasco
EPJ Web of Conferences, 2015, 84, 06003 (6 p.). ⟨10.1051/epjconf/20158406003⟩
Article dans une revue hal-01113141v1
Image document

Prediction Uncertainty of Density Functional Approximations for Properties of Crystals with Cubic Symmetry

Pascal Pernot , Bartolomeo Civalleri , Davide Presti , Andreas Savin
Journal of Physical Chemistry A, 2015, 119 (21), pp.5288-5304. ⟨10.1021/jp509980w⟩
Article dans une revue hal-02010768v1
Image document

Modeling of synchrotron-based laboratory simulations of Titan's ionospheric photochemistry

Zhe Peng , Nathalie Carrasco , Pascal Pernot
GeoResJ, 2014, 1-2, pp.33-53. ⟨10.1016/j.grj.2014.03.002⟩
Article dans une revue hal-00989456v1
Image document

Nitrogen incorporation in Titan's tholins inferred by high resolution orbitrap mass spectrometry and gas chromatography-mass spectrometry

Thomas Gautier , Nathalie Carrasco , Isabelle Schmitz-Afonso , David Touboul , Cyril Szopa
Earth and Planetary Science Letters, 2014, 404, pp.33-42. ⟨10.1016/j.epsl.2014.07.011⟩
Article dans une revue hal-01056129v1

Impact of a new wavelength-dependent representation of methane photolysis branching ratios on the modeling of Titan’s atmospheric photochemistry

B. Gans , Zhe Peng , Nathalie Carrasco , D. Gauyacq , Sébastien Lebonnois
Icarus, 2013, 223 (1), pp.330-343. ⟨10.1016/j.icarus.2012.11.024⟩
Article dans une revue hal-02072254v1
Image document

Oxidation of bromide ions by hydroxyl radicals: Spectral characterization of the intermediate BrOH•-

Isabelle Lampre , Jean-Louis Marignier , Malaknaz Mirdamadi-Esfahani , Pascal Pernot , Pierre Archirel
Journal of Physical Chemistry A, 2013, ⟨10.1021/jp310759u⟩
Article dans une revue hal-04037324v1
Image document

Titan's atmosphere simulation experiment using continuum UV-VUV synchrotron radiation

Zhe Peng , Thomas Gautier , Nathalie Carrasco , P. Pernot , A. Giuliani
Journal of Geophysical Research. Planets, 2013, 118 (4), pp.778-788. ⟨10.1002/jgre.20064⟩
Article dans une revue hal-00793818v1
Image document

Critical Review of N, N+, N+ 2, N++, and N++ 2 Main Production Processes and Reactions of Relevance to Titan's Atmosphere

Odile Dutuit , Nathalie Carrasco , Roland Thissen , Véronique Vuitton , Christian Alcaraz
The Astrophysical Journal Supplement, 2013, 204 (2), 20 (45 pp.). ⟨10.1088/0067-0049/204/2/20⟩
Article dans une revue hal-00785318v1
Image document

Photochemistry simulation of planetary atmosphere using synchrotron radiation at Soleil. Application to Titan's atmosphere

Thomas Gautier , Zhe Peng , A. Giuliani , Nathalie Carrasco , Guy Cernogora
EAS Publications Series, 2012, 58, pp.199-203. ⟨10.1051/eas/1258031⟩
Article dans une revue hal-00830867v1

Null Variance Altitudes for the photolysis rate constants of species with barometric distribution: Illustration on Titan upper atmosphere modeling

Zhe Peng , Fabien Cailliez , M. Dobrijevic , Pascal Pernot
Icarus, 2012, 218 (2), pp.950-955. ⟨10.1016/J.ICARUS.2012.02.006⟩
Article dans une revue hal-00685417v1

Production of neutral species in Titan's ionosphere through dissociative recombination of ions

Sylvain Plessis , Nathalie Carrasco , M. Dobrijevic , Pascal Pernot
Icarus, 2012, 219 (1), pp.254-266. ⟨10.1016/j.icarus.2012.02.032⟩
Article dans une revue hal-00677447v1

Volatile products controlling Titan's tholins production

Nathalie Carrasco , Thomas Gautier , Et-Touhami Es-Sebbar , Pascal Pernot , Guy Cernogora
Icarus, 2012, 219 (1), pp.230-240. ⟨10.1016/j.icarus.2012.02.034⟩
Article dans une revue hal-00678297v1

A KInetic Database for Astrochemistry (KIDA)

Valentine Wakelam , E. Herbst , J. -C. Loison , I. W. M. Smith , V. Chandrasekaran
The Astrophysical Journal Supplement, 2012, 199 (1), pp.21. ⟨10.1088/0067-0049/199/1/21⟩
Article dans une revue hal-00664833v1

Comprehensive data analysis of femtosecond transient absorption spectra: a review

C. Ruckebusch , M. Sliwa , P. Pernot , A. de Juan , R. Tauler
Journal of Photochemistry and Photobiology C: Photochemistry Reviews, 2012, 13, pp.1 - 27. ⟨10.1016/j.jphotochemrev.2011.10.002⟩
Article dans une revue hal-00683565v1
Image document

Probabilistic representations of partial branching ratios: bridging the gap between experiments and chemical models

Pascal Pernot , Sylvain Plessis , Nathalie Carrasco
Journal of Physics: Conference Series, 2011, 300, pp.012027. ⟨10.1088/1742-6596/300/1/012027⟩
Article dans une revue hal-00618935v1
Image document

Knowledge-based probabilistic representations of branching ratios in chemical networks: The case of dissociative recombinations

Sylvain Plessis , Nathalie Carrasco , Pascal Pernot
Journal of Chemical Physics, 2010, 133 (13), pp.134110. ⟨10.1063/1.3479907⟩
Article dans une revue hal-00526661v1

Reaction Networks For Interstellar Chemical Modelling: Improvements and Challenges

Valentine Wakelam , I. W. M. Smith , E. Herbst , J. Troe , W. Geppert
Space Science Reviews, 2010, 156 (1-4), ⟨10.1007/s11214-010-9712-5⟩
Article dans une revue hal-00543722v1
Image document

Photochemical modeling of Titan atmosphere at the "10 percent uncertainty horizon"

Zhe Peng , M. Dobrijevic , Eric Hébrard , Nathalie Carrasco , Pascal Pernot
Faraday Discussions, 2010, 147, pp.137-153. ⟨10.1039/c003366a⟩
Article dans une revue hal-00509656v1
Image document

Tholinomics-chemical analysis of nitrogen-rich polymers

Pascal Pernot , Nathalie Carrasco , Roland Thissen , Isabelle Schmitz-Afonso
Analytical Chemistry, 2010, 82 (4), pp.1371-1380. ⟨10.1021/ac902458q⟩
Article dans une revue hal-00464271v1

Determination of the Absolute Photoionization Cross Sections of CH3 and I Produced from a Pyrolysis Source, by Combined Synchrotron and Vacuum Ultraviolet Laser Studies

Bérenger Gans , Luiz A. Mendes , Séverine Boyé-Péronne , Stéphane Douin , Gustavo Garcia
Journal of Physical Chemistry A, 2010, 114 (9), pp.3237-3246. ⟨10.1021/jp909414d⟩
Article dans une revue hal-02072263v1

Distance dependence of the reaction rate for the reduction of metal cations by solvated electrons : a picosecond pulse radiolysis study

U. Schmidhammer , P. Pernot , V. de Waele , P. Jeunesse , Alexandre Demarque
Journal of Physical Chemistry A, 2010, 114, pp.12042 - 12051. ⟨10.1021/jp107278w⟩
Article dans une revue hal-00561935v1

Comparison of methods for the determination of key reactions in chemical systems: Application to Titan's atmosphere

M. Dobrijevic , Eric Hébrard , S. Plessis , Nathalie Carrasco , P. Pernot
Advances in Space Research, 2010, 45 (1), pp.77-91. ⟨10.1016/j.asr.2009.06.005⟩
Article dans une revue hal-00429222v1

How Measurements of Rate Coefficients at Low Temperature Increase the Predictivity of Photochemical Models of Titan's Atmosphere

Eric Hébrard , M. Dobrijevic , P. Pernot , Nathalie Carrasco , A. Bergeat
Journal of Physical Chemistry A, 2009, 113 (42), pp.11227-11237. ⟨10.1021/jp905524e⟩
Article dans une revue hal-00439322v1

Laboratory Studies of Molecular Growth in the Titan Ionosphere

Roland Thissen , Veronique Vuitton , Panayotis Lavvas , Joël Lemaire , Christophe Dehon
Journal of Physical Chemistry A, 2009, 113 (42), pp.11211-11220. ⟨10.1021/jp9050353⟩
Article dans une revue insu-00501830v1

Sensitivity of a Titan ionospheric model to the ion-molecule reaction parameters

Nathalie Carrasco , Christian Alcaraz , Odile Dutuit , S. Plessis , Roland Thissen
Planetary and Space Science, 2008, 56 (12), pp.1644-1657. ⟨10.1016/j.pss.2008.04.007⟩
Article dans une revue insu-00360084v1

Towards a reduction of the bimolecular reaction model for Titan ionosphere

Nathalie Carrasco , Sylvain Plessis , M. Dobrijevic , P. Pernot
International Journal of Chemical Kinetics, 2008, 40 (11), pp.699-709
Article dans une revue hal-00332667v1

Epistemic bimodality and kinetic hypersensitivity in photochemical models of Titan's atmosphere

M. Dobrijevic , Nathalie Carrasco , Eric Hébrard , P. Pernot
Planetary and Space Science, 2008, 56 (12), pp.1630-1643. ⟨10.1016/j.pss.2008.05.016⟩
Article dans une revue hal-00319819v1

Superoxide radical anions protect enkephalin from oxidation if the amine group is blocked

O. Mozziconacci , J. Mirkowski , F. Rusconi , P. Pernot , K. Bobrowski
Free Radical Biology and Medicine, 2007, 43 (2), pp.229-240
Article dans une revue hal-00187992v1
Image document

Influence of neutral transport on ion chemistry uncertainties in Titan ionosphere

Nathalie Carrasco , Eric Hébrard , M. Banaszkiewicz , M. Dobrijevic , P. Pernot
Icarus, 2007, 192, pp.519-526. ⟨10.1016/j.icarus.2007.08.016⟩
Article dans une revue hal-00177563v1

Ex vivo fluorescence imaging of normal and malignant urothelial cells to enhance early diagnosis

Karine Steenkeste , Sandrine Lecart , Ariane Deniset , Pascal Pernot , Pascal Eschwege
Photochemistry and Photobiology, 2007, 83 (5), p. 1157-1166. ⟨10.1111/j.1751-1097.2007.00079.x⟩
Article dans une revue hal-00187025v1

Modeling of branching ratios uncertainty in chemical networks by Dirichlet distributions

Pascal Pernot , Nathalie Carrasco
Journal of Physical Chemistry A, 2007, pp.ASAP. ⟨10.1021/jp067306y⟩
Article dans une revue hal-00143140v1

Solvation dynamics of electron produced by two-photon ionization of liquid polyols. II. Propanediols

J. Bonin , I. Lampre , P. Pernot , M. Mostafavi
Journal of Physical Chemistry A, 2007, 111 (23), pp.4902-4913
Article dans une revue hal-00186888v1

Uncertainty analysis of bimolecular reactions in Titan ionosphere chemistry model

Nathalie Carrasco , Odile Dutuit , Roland Thissen , M. Banaszkiewicz , P. Pernot
Planetary and Space Science, 2007, 55 (1-2), pp.141-157. ⟨10.1016/j.pss.2006.06.004⟩
Article dans une revue insu-00359311v1

Modeling of branching ratio uncertainty in chemical networks by Dirichlet distributions

Nathalie Carrasco , P. Pernot
Journal of Physical Chemistry A, 2007, 111 (18), pp.3507-3512
Article dans une revue hal-00149808v1

Kinetics study of the solvated electron decay in THF using laser-synchronised picosecond electron pulse

V. de Waele , S. Sorgues , P. Pernot , J.-L. Marignier , M. Mostafavi
Nuclear science and techniques / Chinese Nuclear Society, 2007, 18 (1), pp.10-15
Article dans une revue hal-00149813v1

Solvation Dynamics of the Electron Produced by Two-Photon Ionization of Liquid Polyols. 1. Ethylene Glycol

B. Soroushian , I. Lampre , J. Bonin , P. Pernot , S. Pommeret
Journal of Physical Chemistry A, 2006, 110 (5), pp.1705-1717
Article dans une revue hal-00088380v1

Mechanism of C-O activation in dimethoxyethane cationic iron complexes

S. Le Caer , M. Heninger , P. Pernot , L. N. Mestdagh
Journal of Physical Chemistry A, 2006, 110 (31), pp.9654-9664
Article dans une revue hal-00102657v1

Geminate recombination measurements of solvated electron in THF using laser-synchronized picosecond electron pulse

V. de Waele , S. Sorgues , P. Pernot , J.-L. Marignier , H. Monard
Chemical Physics Letters, 2006, 423 (1-3), pp.30-34
Article dans une revue hal-00101615v1

Camptothecins-guanine interactions: mechanism of charge transfer reaction upon photoactivation

K. Steenkeste , Elvire Guiot , F. Tfibel , Pascal Pernot , Fabienne Merola
Chemical Physics, 2002, 275, pp.93-108
Article dans une revue hal-00761465v1
Image document

Vers une recherche reproductible

Loic Desquilbet , Sabrina Granger , Boris Hejblum , Arnaud Legrand , Pascal Pernot
Unité régionale de formation à l'information scientifique et technique de Bordeaux. Unité régionale de formation à l'information scientifique et technique de Bordeaux, pp.1-161, 2019, 979-10-97595-05-0
Ouvrages hal-02144142v3

Bayesian calibration of force fields for molecular simulations

Fabien Cailliez , Pascal Pernot , Francesco Rizzi , Reese Jones , Omar Knio
Uncertainty Quantification in Multiscale Materials Modeling, Elsevier, pp.169-227, 2020, ⟨10.1016/B978-0-08-102941-1.00006-7⟩
Chapitre d'ouvrage hal-02563598v1

Nitrogen in Titan's Atmospheric Aerosol Factory.

Nathalie Carrasco , Joseph Westlake , Pascal Pernot , Hunter Waite Jr.
Trigo-Rodriguez, J.M.; Raulin, F.; Muller, C.; Nixon, C. The Early Evolution of the Atmospheres of Terrestrial Planets, Springer, pp.145-154, 2013, Astrophysics and Space Science Proceedings, Vol 35, 978-1-4614-5190-7. ⟨10.1007/978-1-4614-5191-4_11⟩
Chapitre d'ouvrage hal-00830681v1

Validation of ML-UQ calibration statistics using simulated reference values: a sensitivity analysis

Pascal Pernot
2024
Pré-publication, Document de travail hal-04502356v1

How to validate average calibration for machine learning regression tasks ?

Pascal Pernot
2024
Pré-publication, Document de travail hal-04465753v1

Can bin-wise scaling improve consistency and adaptivity of prediction uncertainty for machine learning regression ?

Pascal Pernot
2023
Pré-publication, Document de travail hal-04249284v1

Consistency and adaptivity are complementary targets for the validation of variance-based uncertainty quantification metrics in machine learning regression tasks

Pascal Pernot
2023
Pré-publication, Document de travail hal-04234507v1

Validation of uncertainty quantification metrics: a primer based on the consistency and adaptivity concepts

Pascal Pernot
2023
Pré-publication, Document de travail hal-04131221v1

Properties of the ENCE and other MAD-based calibration metrics

Pascal Pernot
2023
Pré-publication, Document de travail hal-04131185v1

Stratification of uncertainties recalibrated by isotonic regression and its impact on calibration error statistics

Pascal Pernot
2023
Pré-publication, Document de travail hal-04131182v1

Confidence curves for UQ validation: probabilistic reference vs. oracle

Pascal Pernot
2023
Pré-publication, Document de travail hal-04131189v1

Comparison of recent estimators of uncertainty on the mean for small measurement samples with normal and non-normal error distributions

Pascal Pernot , Jean-Paul Berthet
2022
Pré-publication, Document de travail hal-03784456v1

Objective assessment of corneal transparency in the clinical setting with standard SD-OCT devices

Maëlle Vilbert , Romain Bocheux , Cristina Georgeon , Vincent Borderie , Pascal Pernot
2021
Pré-publication, Document de travail hal-03465920v1

A critical review of statistical calibration/prediction models handling data inconsistency and model inadequacy

Pascal Pernot , Fabien Cailliez
2016
Pré-publication, Document de travail hal-01415827v1

The parameters uncertainty inflation fallacy

Pascal Pernot
2016
Pré-publication, Document de travail hal-01415821v1
Image document

Scaling factors for ab initio vibrational frequencies: comparison of uncertainty models for quantified prediction

Pascal Pernot
2008
Pré-publication, Document de travail hal-00349953v1
Image document

Bayesian analysis of signal deconvolution using measured instrument response functions

Pascal Pernot
2006
Pré-publication, Document de travail hal-00022916v2
Image document

Uncertainty analysis of bimolecular reactions in Titan ionosphere chemistry model

Nathalie Carrasco , Odile Dutuit , Roland Thissen , Pascal Pernot , Marek Banaszkiewicz
2006
Pré-publication, Document de travail hal-00022469v1

Objective characterisation of corneal transparency by analysis of clinical SD-OCT images

Maëlle Vilbert , Romain Bocheux , Cristina Georgeon , Vincent Borderie , Pascal Pernot
European Conference on Biomedical Optics 2023 (ECBO), Jun 2023, Munich, Germany. ⟨10.1117/12.2670743⟩
Communication dans un congrès hal-04393495v1

Two or three things I'm sure about uncertainty

Pascal Pernot
Taming The Uncertainty Monster, Marie Gueguen; François Lique; Sébastien Le Picard, Jul 2022, Rennes, France
Communication dans un congrès hal-04062489v1

Objective assessment of corneal transparency in the clinical setting: Identification and correction of acquisition artifacts in SD-OCT images

Maëlle Vilbert , Romain Bocheux , Hugo Lama , Cristina Georgeon , Vincent Borderie
ARVO 2021, ARVO, May 2022, Denver, United States
Communication dans un congrès hal-04393517v1

Prediction uncertainty validation for computational chemists

Pascal Pernot
Error control in first-principles modelling (CECAM Flagship workshop), Gabor Csanyi; Genevieve Dusson; Michael Herbst; Youssef Marzouk, Jun 2022, Lausanne, Switzerland
Communication dans un congrès hal-04062441v1
Image document

Towards Objective Corneal Transparency Assessment in the Clinical Setting: Correction of Acquisition Artifacts in Spectral-domain OCT Images

Maëlle Vilbert , Romain Bocheux , Hugo Lama , Cristina Georgeon , Vincent Borderie
Imaging Systems and Applications 2021, Jul 2021, Washington, United States. ⟨10.1364/ISA.2021.ITu1D.5⟩
Communication dans un congrès hal-03445432v1

Prediction uncertainty in computational chemistry

Pascal Pernot
Benchmarking of electronic structure methods for non-covalent interactions (CECAM Flagship workshop), Majdi Hochlaf; Ricardo Mata; Daniel Obenchain, Nov 2021, Champs-sur-Marne, France
Communication dans un congrès hal-04062457v1

Objective Assessment of Corneal Transparency in the Clinical Setting: Correction of Acquisition Arti-facts in SD-OCT Images and Application to Normal Corneas

Maëlle Vilbert , Romain Bocheux , Hugo Lama , Cristina Georgeon , Vincent Borderie
European Conference on Biomedical Optics 2021 (ECBO), Jun 2021, Munich, Germany. ⟨10.1117/12.2616041⟩
Communication dans un congrès hal-04393542v1

Caractérisation objective de la transparence cornéenne par analyse d’images d’OCT clinique

Maëlle Vilbert , Romain Bocheux , Hugo Lama , Cristina Georgeon , Vincent Borderie
Congrès de la Société Française d'Optique, Société Française d'Optique, Jul 2021, Dijon, France
Communication dans un congrès hal-04393509v1

How to estimate the prediction uncertainty of computational chemistry methods ?

Pascal Pernot
Workshop on Precision Quantification in DFT, Stefaan Cottenier; Kurt Lejaeghere, May 2019, Louvain-la-Neuve, Belgium
Communication dans un congrès hal-04062518v1
Image document

Gas-Phase Positive Ion Insights during Laboratory EUV Irradiation of Titan's Relevant Gas Mixtures

Jérémy Bourgalais , Nathalie Carrasco , Pascal Pernot
EPSC-DPS Joint Meeting 2019, Sep 2019, Geneva, Switzerland. pp.EPSC-DPS2019-1337-1
Communication dans un congrès insu-02196260v1

Objective and quantitative analysis of corneal transparency with clinical spectral-domain optical coherence tomography

R. Bocheux , B. Rivière , P. Pernot , C. Georgeon , V. Borderie
European Conference on Biomedical Optics 2019 (ECBO), Jun 2019, Munich, Germany. ⟨10.1117/12.2527085⟩
Communication dans un congrès hal-04059275v1

Quantitative Measures of Corneal Transparency, Derived from Objective Analysis of Stromal Light Backscattering with Full-Field Optical Coherence Tomography

R. Bocheux , P. Pernot , V. Borderie , K. Plamann , K. Irsch
Imaging Systems and Applications 2019, Jun 2019, Munich, Germany. ⟨10.1364/ISA.2019.ITh2B.5⟩
Communication dans un congrès hal-04059276v1

Objective and quantitative analysis of corneal transparency with clinical spectral-domain optical coherence tomography

Romain Bocheux , Bathilde Riviere , Pascal Pernot , Cristina Georgeon , Vincent Borderie
ARVO 2019, ARVO, Apr 2019, Vancouver (BC), Canada
Communication dans un congrès hal-04393529v1

Incertitudes en Chimie Computationnelle

Pascal Pernot
Quantification des incertitudes en sciences des matériaux, Colloque des GDR MascotNum et ModMat, 2018, IHP, Paris, France
Communication dans un congrès hal-04130652v1
Image document

Génération de polysulfures lors de la radiolyse de l'eau porale de matériaux cimentaires avec laitier

P. Bouniol , S. Le Caer , M. Mostafavi , J. L. Marignier , P. Pernot
JECR 2016 - 18èmes Journées d'Etudes de la Chimie sous Rayonnement, May 2016, Balaruc-Les-Bains, France
Communication dans un congrès cea-02442299v1
Image document

HPLC-Orbitrap analysis for identification of organic molecules in complex material

Thomas Gautier , Isabelle Schmitz-Afonso , Nathalie Carrasco , D. Touboul , Cyril Szopa
European Planetary Science Congress 2015, Sep 2015, Nantes, France. pp.801-802
Communication dans un congrès insu-01208003v1
Image document

Evolution of Titan's atmospheric aerosol under high-altitude ultraviolet irradiation

Sarah Tigrine , Nathalie Carrasco , Ahmed Mahjoub , Benjamin Fleury , Guy Cernogora
European Planetary Science Congress 2015, Sep 2015, Nantes, France. pp.EPSC2015-496
Communication dans un congrès insu-01208368v1

Experimental and theoretical simulations of Titan's VUV photochemistry

Z. Peng , Nathalie Carrasco , P. Pernot
American Geophysical Union, Fall Meeting 2013, Dec 2013, San Francisco, United States. pp.P53C-1872
Communication dans un congrès hal-01067622v1
Image document

Mimicking Titan's upper atmosphere reactivity with a RF-capacitively coupled N2-CH4 plasma

Nathalie Carrasco , Thomas Gautier , Et-Touhami Es-Sebbar , P. Pernot , Guy Cernogora
ESCAMPIG 2012 (Europhysics Conference on the Atomic and Molecular Physics of Ionized Gases), Jul 2012, Viana do Castelo, Portugal. 2 p
Communication dans un congrès hal-00741736v1

Simulating Titan's upper atmosphere reactivity with a N2-CH4 plasma discharge

Nathalie Carrasco , Thomas Gautier , Ahmed Mahjoub , Pascal Pernot , Guy Cernogora
AGU Fall Meeting, Dec 2012, San Francisco, United States
Communication dans un congrès hal-00777739v1

Effects of uncertain photolysis parameters on predictions of Titan's photochemistry models

Zhe Peng , F. Cailliez , Nathalie Carrasco , Eric Hébrard , M. Dobrijevic
EPSC-DPS Joint Meeting 2011, held 2-7 October 2011 in Nantes, France. p.196, 2012, Oct 2011, Nantes, France. pp.196
Communication dans un congrès hal-00665044v1
Image document

Photochemistry simulation of planetary atmosphere using synchrotron radiation at soleil. application to titan's atmosphere

Thomas Gautier , Zhe Peng , Alexandre A. Giuliani , Nathalie Carrasco , Guy Cernogora
ECLA: European Conference on Laboratory Astrophysics, Sep 2011, Paris, France. pp.199-203, ⟨10.1051/eas/1258031⟩
Communication dans un congrès hal-02750391v1
Image document

Production of neutral species in Titan's ionosphere through dissociative recombination of ions as measured by INMS

S. Plessis , Nathalie Carrasco , M. Dobrijevic , P. Pernot
EPSC-DPS Joint Meeting 2011, Oct 2011, Nantes, France. pp.EPSC-DPS2011-121
Communication dans un congrès hal-00665046v1
Image document

Gaseous chemistry for a Titan's atmospheric plasma experimental simulation

Nathalie Carrasco , Thomas Gautier , Ella Sciamma-O'Brien , Cyril Szopa , Guy Cernogora
European Planetary Science Congress 2010, Sep 2010, Rome, Italy. EPSC2010-418 (2p.)
Communication dans un congrès hal-00665789v1

Photochemical modeling of Titan's atmosphere at the "10% uncertainty horizon".

Z. Peng , Pascal Pernot , Nathalie Carrasco , Eric Hébrard , M. Dobrijevic
Faraday Discussion 147: Chemistry of the Planets. St-Jacut de la Mer, France. 14-16 june 2010., 2010, St-Jacut de la Mer, France
Communication dans un congrès hal-00998572v1

Role of dissociative recombinaison in Titan's ionosphere: a reappraisal.

Sarah Plessis , Pascal Pernot , Nathalie Carrasco , M. Dobrijevic
Faraday Discussion 147: Chemistry of the Planets. St-Jacut de la Mer, France. 14-16 june 2010., 2010, St-Jacut de la Mer, France
Communication dans un congrès hal-00998570v1

Structure polymérique des tholins de Titan

Nathalie Carrasco , P. Pernot , R. Thissen , E. Quirico , Edith Hadamcik
Colloque quadriennal du PNP (Programme National de Planétologie), Sep 2010, Brest, France
Communication dans un congrès hal-00665821v1

Towards an accurate representation of ionic chemistry in Titan's ionosphere.

Sarah Plessis , Nathalie Carrasco , M. Dobrijevic , Pascal Pernot
4th NSF Workshop on Titan, 2010, St-Jacut de la Mer, France
Communication dans un congrès hal-00998568v1
Image document

High resolution mass spectrometry for Titan's aerosol analysis

Nathalie Carrasco , P. Pernot , Cyril Szopa , R. Thissen , P. Puget
European Planetary Science Congress 2010, Sep 2010, Rome, Italy
Communication dans un congrès hal-00665792v1
Image document

Chemistry in Titan’s ionosphere: contribution of dissociative recombination to an ion- neutral coupled model

Sylvain Plessis , P. Pernot , Nathalie Carrasco
European Planetary Science Congress 2009, Sep 2009, Potsdam, Germany. pp.EPSC2009-148
Communication dans un congrès insu-02896805v1

How Measurements Of Rate Constants At Low Temperature Increase The Predictivity Of Photochemical Models Of Titans's Atmosphere

Pascal Pernot , Eric Hébrard , M. Dobrijevic , Nathalie Carrasco , A. Bergeat
DPS Meeting, Oct 2009, Puerto Rico, United States. pp.id. 17.08
Communication dans un congrès hal-00426684v1

How measurements of rate constants at low temperature increase the predictivity of photochemical models of Titans's atmosphere

P. Pernot , Eric Hébrard , M. Dobrijevic , Nathalie Carrasco , A. Bergeat
European Planetary Science Congress 2009, Sep 2009, Potsdam, Germany. pp.221
Communication dans un congrès hal-00998443v1
Image document

First results of the ISSI workshop on the comparison of 1D photochemical models of Titan atmosphere.

Pascal Pernot , N. Bell , Nathalie Carrasco , M. Dobrijevic , Eric Hébrard
European Planetary Science Congress 2009, Sep 2009, Potsdam, Germany. pp.EPSC2009-226
Communication dans un congrès hal-00998456v1

Structured description of uncertainty for chemical reaction products and rates

P. Pernot , Sylvain Plessis , Nathalie Carrasco , Eric Hébrard , M. Dobrijevic
35th Seminar Esreda On "Uncertainty in Industrial Practice - Generic best practices in uncertainty treatment", Nov 2008, Marseille, France
Communication dans un congrès hal-00403306v1

Simulations of the first steps of molecular growth occurring in Titan ionosphere by means of synchrotron radiation irradiation of gas mixtures inside an ion trap at high mass resolution

Roland Thissen , Véronique Vuitton , J. Lemaire , C. Dehon , Panayotis Lavvas
European Planetary Science Congress 2008, Sep 2008, Münster, Germany. pp.EPSC2008-A-00595
Communication dans un congrès insu-00365722v1

Titan ionospheric chemistry

Odile Dutuit , Roland Thissen , Christian Alcaraz , Nathalie Carrasco , P. Pernot
Molecules in Space and Laboratory, May 2007, Paris, France
Communication dans un congrès insu-00359790v1

Titan ionospheric chemistry

Odile Dutuit , Roland Thissen , Christian Alcaraz , Nathalie Carrasco , P. Pernot
IUGG XXIV 2007 - IAMAS section, Jul 2007, Perugia, Italy
Communication dans un congrès insu-00363999v1

UNCERTAINTY ANALYSIS IN TITAN IONOSPHERIC CHEMISTRY MODEL

Nathalie Carrasco , Eric Hébrard , M. Dobrijevic , P. Pernot
European Planetary Science Congress 2007, Aug 2007, Potsdam, Germany
Communication dans un congrès hal-00264480v1

Uncertainty analysis in a Titan ionospheric chemistry model.

Nathalie Carrasco , Eric Hébrard , M. Dobrijevic , P. Pernot
Fifth International Conference on Sensitivity Analysis of Model Output. Eotvos University (ELTE), Budapest, Hungary. 8-22 June, 2007., 2007, Budapest, Hungary
Communication dans un congrès hal-00264502v1

Uncertainty propagation and sensitivity analysis: providing insights for simulation of Cassini's INMS ions data

Nathalie Carrasco , P. Pernot , O. Dutuit , R. Thissen , M. Banaszkiewicz
First worshop on Titan - Observations, Experiments, Computations and Modeling. Honolulu, Hawai. 5-7 february 2007, 2007, Honolulu, United States
Communication dans un congrès hal-00264616v1

New laboratory approach to study Titan ionospheric chemistry

Roland Thissen , Odile Dutuit , P. Pernot , Nathalie Carrasco , Jean Lilensten
European Planetary Science Congress 2006, 2006, Berlin, Germany
Communication dans un congrès insu-00358084v1

Comparison of two major sources of uncertainty in Titan ionospheric chemistry: neutral densities and ion-molecule reactions

Nathalie Carrasco , Eric Hébrard , M. Dobrijevic , P. Pernot
European Planetary Science Congress 2006, 2006, Berlin, Germany
Communication dans un congrès insu-00357990v1

Comparison of two major sources of uncertainty in Titan ionospheric chemistry: neutral densities and ion-molecule reactions

Nathalie Carrasco , Eric Hébrard , M. Dobrijevic , P. Pernot
European Planetary Science Congress, Berlin. September 18-22, 2006., 2006, Berlin, Germany
Communication dans un congrès hal-00109829v1

Titan ionospheric chemistry experiments and uncertainty propagation, tools for improving models

Odile Dutuit , Roland Thissen , Christian Alcaraz , Nathalie Carrasco , P. Pernot
Sixth European Workshop on Astrobiology (EANA), Oct 2006, Lyon, France
Communication dans un congrès insu-00367635v1

Uncertainty analysis for complex chemical systems

Nathalie Carrasco , P. Pernot
European Planetary Science Congress 2006, 2006, Berlin, Germany
Communication dans un congrès insu-00357996v1

Analyse Bayésienne des Données. Application à la spectroscopie résolue en temps

P. Pernot
Analyse Bayésienne des Données. Application à la spectroscopie résolue en temps, 2006, Lille, France
Communication dans un congrès hal-00089182v1

Analyse des incertitudes sur les réactions bimoléculaires dans un modèle de chimie ionospherique de Titan

Nathalie Carrasco , Odile Dutuit , Roland Thissen , M. Banaszkiewicz , P. Pernot
Colloque du Programme National de Planétologie (PNP), Sep 2006, Nancy, France
Communication dans un congrès insu-00367634v1

Ion-molecule reaction studies of planetary interest ; the specific case of models for Titan ionosphere : uncertainty propagation and need for new and better measurements

Roland Thissen , Christian Alcaraz , C. Nicolas , Odile Dutuit , Nathalie Carrasco
MOLEC XVI, European Conference on Dynamics of Molecular Systems, Sep 2006, Trento, Italy
Communication dans un congrès insu-00367632v1

Sensitivity and uncertainty analysis for ionospheric chemistry

P. Pernot
Workshop on Physical-Chemistry in Titan Atmosphere, 2005, France
Communication dans un congrès hal-00089177v1

Physical-Chemistry in Titan Atmosphere

O. Dutuit , C. Alcaraz , P. Pernot , Nathalie Carrasco , R. Thissen
Organisateurs du Workshop EuroPlaNet, 2005, Orsay, France
Communication dans un congrès hal-00089178v1