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32 résultats
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Modélisation et simulation adaptatives pour les nanosciencesFranck Varenne; Marc Silberstein. Modéliser & simuler. Epistémologies et pratiques de la modélisation et de la simulation, 2, Éditions Matériologiques, 2014
Chapitre d'ouvrage
hal-01085275v1
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Editing molecular structures with smoothed articulated-body accelerationWorkshop on Robotics Methods for Structural and Dynamic Modeling of Molecular Systems, Robotics Science and Systems, Jul 2014, Berkeley, California, United States
Communication dans un congrès
hal-01114539v1
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Continuous Collision DetectionMing C. Lin and Miguel A. Otaduy. Haptic Rendering: Foundations, Algorithms and Applications, A. K. Peters, Ltd., pp.253-276, 2008, 978-1568813325
Chapitre d'ouvrage
inria-00390307v1
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Practical modeling of molecular systems with symmetriesJournal of Computational Chemistry, 2010, 31 (9), pp.1799-1814. ⟨10.1002/jcc.21434⟩
Article dans une revue
istex
hal-00748028v1
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Nanotechnologie : conception à l'échelle atomique par Stéphane Redon. Dynamique moléculaire interactive, entretien avec Serge Crouzy, propos recueillis par Dominique Chouchan.Les Cahiers de l'INRIA - La Recherche, 2009, Les 10 découvertes de l'année, 426 janvier 2009
Article dans une revue
inria-00527621v1
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Adaptively Restrained Particle SimulationsPhysical Review Letters, 2012, 109 (19), pp.190201:1-5. ⟨10.1103/PhysRevLett.109.190201⟩
Article dans une revue
hal-00756121v1
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Comparing position and force control for interactive molecular simulators with haptic feedbackJournal of Molecular Graphics and Modelling, 2010, 29 (2), pp.280-289. ⟨10.1016/j.jmgm.2010.06.003⟩
Article dans une revue
hal-00748030v1
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Haptic molecular simulation based on force controlAIM - 2010 IEEE/ASME International Conference on Advanced Intelligent Mechatronics, Jul 2010, Montréal, Canada. pp.329-334, ⟨10.1109/AIM.2010.5695764⟩
Communication dans un congrès
hal-00784663v1
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Haptic feedback for molecular simulationIROS 2009 - IEEE/RSJ International Conference on Intelligent Robots and Systems, Oct 2009, St. Louis, MO, United States. pp.237-242, ⟨10.1109/IROS.2009.5354256⟩
Communication dans un congrès
hal-00784678v1
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Automatic molecular structure perception for the universal force fieldJournal of Computational Chemistry, 2016, 37 (13), pp.1191-1205. ⟨10.1002/jcc.24309⟩
Article dans une revue
istex
hal-01282433v1
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A comparison of neighbor search algorithms for large rigid moleculesJournal of Computational Chemistry, 2011, 32 (13), pp.2865-2877. ⟨10.1002/jcc.21868⟩
Article dans une revue
istex
hal-00748053v1
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Incremental update of electrostatic interactions in adaptively restrained particle simulationsJournal of Computational Chemistry, 2018, 39 (20), pp.1455-1469. ⟨10.1002/jcc.25215⟩
Article dans une revue
hal-01761906v1
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Six Degree-of-Freedom Rendering of Rigid EnvironmentsMing C. Lin and Miguel A. Otaduy. Haptic Rendering: Foundations, Algorithms and Applications, A. K. Peters, Ltd., pp.333-354, 2008, 978-1568813325. ⟨10.1201/b10636-19⟩
Chapitre d'ouvrage
inria-00390308v1
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Single-pass Incremental Force Updates for Adaptively Restrained Molecular DynamicsJournal of Computational Chemistry, 2018, 39 (8), pp.412-423. ⟨10.1002/jcc.25126⟩
Article dans une revue
hal-01635863v1
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Error Analysis of Modified Langevin DynamicsJournal of Statistical Physics, 2016, 164 (4), pp.735-771. ⟨10.1007/s10955-016-1544-6⟩
Article dans une revue
hal-01263700v1
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Adaptively Restrained Molecular Dynamics in LAMMPSModelling and Simulation in Materials Science and Engineering, 2017, 25 (5), pp.055013. ⟨10.1088/1361-651X/aa7345⟩
Article dans une revue
hal-01525253v1
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Variable gain haptic coupling for molecular simulationWHC 2011 - IEEE World Haptics Conference, Jun 2011, Istanbul, Turkey. pp.469-474, ⟨10.1109/WHC.2011.5945531⟩
Communication dans un congrès
hal-00784641v1
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Fast construction of assembly trees for molecular graphsJournal of Computational Chemistry, 2011, 32 (8), pp.1589-1598. ⟨10.1002/jcc.21738⟩
Article dans une revue
istex
hal-00746836v1
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Generating conformational transition paths with low potential-energy barriers for proteinsJournal of Computer-Aided Molecular Design, 2018, 32 (8), pp.853-867. ⟨10.1007/s10822-018-0137-7⟩
Article dans une revue
hal-01973757v1
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IM-UFF: extending the Universal Force Field for interactive molecular modelingJournal of Molecular Graphics and Modelling, 2017, 77, pp.350 - 362. ⟨10.1016/j.jmgm.2017.08.023⟩
Article dans une revue
hal-01676519v1
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Block-Adaptive Quantum Mechanics: An Adaptive Divide-and-Conquer Approach to Interactive Quantum ChemistryJournal of Computational Chemistry, 2013, 34 (6), pp.492-504. ⟨10.1002/jcc.23157⟩
Article dans une revue
istex
hal-00755521v1
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As-Rigid-As-Possible molecular interpolation pathsJournal of Computer-Aided Molecular Design, 2017, 31 (4), pp.403 - 417. ⟨10.1007/s10822-017-0012-y⟩
Article dans une revue
hal-01676132v1
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Continuous Collision Detection for Adaptive Simulation of Articulated BodiesThe Visual Computer, 2008, 24 (4), pp.261-269. ⟨10.1007/s00371-007-0196-6⟩
Article dans une revue
istex
inria-00390311v1
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View-dependent dynamics of articulated bodiesComputer Animation and Virtual Worlds, 2008, 19 (3-4), pp.223-233. ⟨10.1002/cav.245⟩
Article dans une revue
istex
inria-00390310v1
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ART-RRT: As-Rigid-As-Possible exploration of ligand unbinding pathwaysJournal of Computational Chemistry, 2018, 39 (11), pp.665-678. ⟨10.1002/jcc.25132⟩
Article dans une revue
hal-01973778v1
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Interactive physically-based structural modeling of hydrocarbon systemsJournal of Computational Physics, 2012, 231 (6), pp.2581-2598. ⟨10.1016/j.jcp.2011.12.006⟩
Article dans une revue
hal-00755542v1
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Atomistic Modelling and Simulation of Transmission Electron Microscopy Images: Application to Intrinsic Defects of GrapheneSIMULTECH 2018 - 8th International Conference on Simulation and Modeling Methodologies, Technologies and Applications, Jul 2018, Porto, Portugal. ⟨10.5220/0006829200150024⟩
Communication dans un congrès
hal-01973626v1
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Parallel Adaptively Restrained Molecular Dynamics2017 International Conference on High Performance Computing & Simulation (HPCS), Jul 2017, Genova, Italy. pp.308 - 314, ⟨10.1109/HPCS.2017.55⟩
Communication dans un congrès
hal-01591466v1
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Exploring the Use of Adaptively Restrained Particles for Graphics SimulationsVRIPHYS 2013 - 10th Workshop on Virtual Reality Interaction and Physical Simulation, Nov 2013, Lille, France. pp.17-24, ⟨10.2312/PE.vriphys.vriphys13.017-024⟩
Communication dans un congrès
hal-00914653v1
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Interactive Chemical Reactivity ExplorationChemPhysChem, 2014, 15 (15), pp.3301-3319. ⟨10.1002/cphc.201402342⟩
Article dans une revue
hal-01091971v1
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