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Domains : chim
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Optimisation numérique et contrôle optimal : applications en chimie moléculaire

Adel Ben Haj Yedder
Autre. Ecole des Ponts ParisTech, 2002. Français. ⟨NNT : ⟩
Theses tel-00005677v1
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Modélisation globale de l'infiltration chimique en phase vapeur (CVI) et étude de la chimie du dépôt de pyrocarbone en CVD/CVI

Nicolas Reuge
Matériaux. Université Sciences et Technologies - Bordeaux I, 2002. Français. ⟨NNT : ⟩
Theses tel-00003765v1

FESTIM, a modelling code for hydrogen transport in materials for nuclear fusion applications

Rémi Delaporte-Mathurin , Etienne A Hodille , James Dark , Floriane Leblond , Jonathan Mougenot , et al.
FEniCS 2021, Mar 2021, Cambridge, United Kingdom
Conference papers hal-03186587v1

From water radiolysis to hadrontherapy: NanoxTM a multi-scale model for biological effects

M. Beuve , M. Cunha , C. Monini , E. Testa
Swift Heavy Ions in Matter (SHIM) 2015, May 2015, Darmstad, Germany
Conference papers hal-01206693v1
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Controllability Analysis of Quantum Systems Immersed within an Engineered Environment

Andreea Grigoriu , Herschel Rabitz , Gabriel Turinici
Journal of Mathematical Chemistry, 2013, 51 (6), pp.1548-1560. ⟨10.1007/s10910-013-0163-6⟩
Journal articles hal-00696546v3
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Démixtion et ségrégation superficielle dans les alliages fer-chrome : de la structure électronique aux modèles thermodynamiques

Maximilien Levesque
Analyse de données, Statistiques et Probabilités [physics.data-an]. Université Paris Sud - Paris XI, 2010. Français. ⟨NNT : ⟩
Theses tel-00573815v1
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Multi-polarization quantum control of rotational motion through dipole coupling

Gabriel Turinici , Herschel Rabitz
Journal of Physics A: Mathematical and Theoretical, 2010, 43 (10), pp.105303
Journal articles hal-00450794v3
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Simulations par dynamique moléculaire de la solvatation et du comportement interfacial d'espèces hydrophobes. Application à l'hypothèse TATB et à l'extraction liquide/liquide de cations par le CO2 supercritique.

Schurhammer Rachel
Chimie. Université Louis Pasteur - Strasbourg I, 2001. Français. ⟨NNT : ⟩
Theses tel-00292205v1
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Applications of Molecular Simulation in Oil and Gas Production and Processing

Philippe Ungerer , Véronique Lachet , Bernard Tavitian
Oil & Gas Science and Technology - Revue d'IFP Energies nouvelles, 2006, 61 (3), pp.387-403. ⟨10.2516/ogst:2006040a⟩
Journal articles hal-01160405v1
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Etude théorique à l'échelle nanométrique du carbure de silicium sous irradiation : modélisation classique et ab initio

Guillaume Lucas
Physique [physics]. Université de Poitiers, 2006. Français. ⟨NNT : ⟩
Theses tel-00127786v1
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Simulations numériques de systèmes biologiques complexes : dynamique, structure et fonction de transporteurs, canaux et enzymes

Marc Baaden
Sciences pharmaceutiques. Université Paris-Diderot - Paris VII, 2010
Habilitation à diriger des recherches tel-00541521v1
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Comparison of gadolinium nanoparticles and molecular contrast agents for radiation therapy-enhancement

R. Delorme , Florence Taupin , Mélanie Flaender , Jean-Luc Ravanat , Christophe Champion , et al.
Medical Physics, 2017, 44 (11), pp.5949-5960. ⟨10.1002/mp.12570⟩
Journal articles hal-01690606v1

Biomimetic Enzymatic Membranes for specific active transport processes : the shunt concept

K. Fiaty , C. Charcosset , B. Perrin , B. Maïsterrena
9th International Conference on Catalysis in Membrane Reactors, Jun 2009, Lyon, France
Conference papers hal-02001468v1

Transition de phases solides des principes actifs en compression : application à la caféine

Alain Hédoux , T. Hoc , Hatem Fessi , François Puel , Sébastien Hubert , et al.
4ème Journée partenariale de l’Institut Carnot, Oct 2012, Lyon, France
Conference papers hal-02001471v1

Procédé de formulation par cristallisation en émulsion : Dispositif de suivi in situ et premières observations

Abir Khalil , Xavier Cosson , François Puel , Yves Chevalier , Alain Rivoire , et al.
Récents Progrès en Génie des Procédés, CRISTAL 6, May 2010, Marseille, France. pp.266--273
Conference papers hal-02001476v1

Process induced transformations (PITs) during tablet manufacturing: Phase transition analysis of caffeine using DSC and low frequency micro-Raman spectroscopy

Sébastien Hubert , Stéphanie Briançon , A. Heydoux , Yannick Guinet , Laurent Paccou , et al.
8th World meeting on Pharmaceutics, Bio-pharmaceutics and Pharmaceutical Technology, Mar 2012, Istanbul, Turkey
Conference papers hal-02001481v1

Support Vector Machines for Fault Detection in Wind Turbines

Nassim Laouti , Sami Othman , Nida Sheibat -Othman
IFAC 18th World Congress, Aug 2011, Milano, Italy
Conference papers hal-02001490v1

Pulp biology and regeneration group, tissue injury and regeneration

Nader Kalaji , Nida Sheibat -Othman , Hatem Fessi , Imad About
IADR, Jul 2010, Geneva, Switzerland
Conference papers hal-02001492v1

Fault diagnosis for wastewater treatment plants using support vector machines

Nassim Laouti , Sami Othman , N. Sheibat -Othman
STIC et Environnement, May 2011, Saint Etienne, France
Conference papers hal-02001499v1

X-ray μCT based assessment of thermal cycling induced cracks in non-crimp 3D orthogonal woven composite materials with porosity

M. Gigliotti , Y. Pannier , Y. Sinchuk , R. Antoranz-Gonzalez , M.C. Lafarie-Frenot , et al.
IOP Conference Series: Materials Science and Engineering, 2018, 406, pp.012008. ⟨10.1088/1757-899X/406/1/012008⟩
Journal articles hal-02403006v1

Special Section: Mechanisms and Robots for Safe Human–Robot Physical Interaction

Simaan Nabil , Carl A. Nelson , Med Amine Laribi
Journal of Mechanisms and Robotics, 2019, 11 (6), ⟨10.1115/1.4044541⟩
Journal articles hal-02464281v1

Experimental control of swept-wing transition through base-flow modification by plasma actuators

Srikar Yadala , Marc Hehner , Jacopo Serpieri , Nicolas Benard , Philipp Dörr , et al.
Journal of Fluid Mechanics, 2018, 844, ⟨10.1017/jfm.2018.268⟩
Journal articles hal-02315421v1
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Convex-PL: a novel knowledge-based potential for protein-ligand interactions deduced from structural databases using convex optimization

Maria Kadukova , Sergei Grudinin
Journal of Computer-Aided Molecular Design, 2017, 31 (10), pp.943-958. ⟨10.1007/s10822-017-0068-8⟩
Journal articles hal-01591154v1
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Mathematical Analysis and Calculation of Molecular Surfaces

Chaoyu Quan , Benjamin Stamm
Journal of Computational Physics, 2016, ⟨10.1016/j.jcp.2016.07.007⟩
Journal articles hal-01205580v2

Theoretical study of the conformation of the H-protein lipoamide arm as a function of its terminal group

Olivier Roche , Konrad Hinsen , Martin Field
Proteins: Structure, Function, and Genetics, 1999, 36 (2), pp.228-237. ⟨10.1002/(SICI)1097-0134(19990801)36:2<228::AID-PROT8>3.0.CO;2-Q⟩
Journal articles hal-02159759v1

Analysis of domain motions in large proteins

Konrad Hinsen , Aline Thomas , Martin Field
Proteins: Structure, Function, and Genetics, 1999, 34 (3), pp.369-382. ⟨10.1002/(SICI)1097-0134(19990215)34:3<369::AID-PROT9>3.0.CO;2-F⟩
Journal articles hal-02159761v1
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Modeling the thermodynamic properties of CO2 aqueous solution using a combination of HKF and Pitzer equations

Marc Parmentier , Adeline Lach , Laurent André , Arnault Lassin
43rd IAH Congress, Sep 2016, Montpellier, France.
Conference poster hal-02457858v1

Investigations of the thermal performance of a cylindrical wicked heat pipe

Kods Grissa , Adel Benselama , Zied Lataoui , Yves Bertin , Abdelmajid Jemni
International Journal of Energy Research, 2018, 42 (9), pp.3048-3058. ⟨10.1002/er.3973⟩
Journal articles hal-02307296v1

Evolution of scalar and velocity dynamics in planar shock-turbulence interaction

R. Boukharfane , Z. Bouali , Arnaud Mura
Shock Waves, 2018, 28 (6), pp.1117-1141. ⟨10.1007/s00193-017-0798-5⟩
Journal articles hal-02304731v1

Optimized single-step (OSS) chemistry models for the simulation of turbulent premixed flame propagation

Aimad Er-Raiy , Zakaria Bouali , Julien Reveillon , Arnaud Mura
Combustion and Flame, 2018, 192, pp.130-148. ⟨10.1016/j.combustflame.2018.01.038⟩
Journal articles hal-02304849v1