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Jean-Luc Fattebert

Showing results (1-10 of 12) with videos related to

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Journal of Computational Chemistry|April 10, 2002
Density functional theory for efficient ab initio molecular dynamics simulations in solutionJean-Luc Fattebert, François Gygi
Physical Review Letters|March 4, 2014
Accurate and scalable O(N) algorithm for first-principles molecular-dynamics computations on large parallel computersDaniel Osei-Kuffuor, Jean-Luc Fattebert
The Journal of Chemical Physics|May 30, 2006
Stacking of oligo- and polythiophene cations in solution: surface tension and dielectric saturationDamián A Scherlis, Jean-Luc Fattebert, Nicola Marzari
The Journal of Chemical Physics|September 11, 2023
A fast, dense Chebyshev solver for electronic structure on GPUsJoshua Finkelstein, Christian F A Negre, Jean-Luc Fattebert
The Journal of Chemical Physics|February 25, 2006
A unified electrostatic and cavitation model for first-principles molecular dynamics in solutionDamián A Scherlis, Jean-Luc Fattebert, François Gygi, et al.
Journal of the American Chemical Society|October 21, 2004
Optical properties of silicon clusters in the presence of water: a first principles theoretical analysisDavid Prendergast, Jeffrey C Grossman, Andrew J Williamson, et al.
Journal of Chemical Theory and Computation|December 9, 2015
Large-Scale First-Principles Molecular Dynamics Simulations with Electrostatic Embedding: Application to Acetylcholinesterase CatalysisJean-Luc Fattebert, Edmond Y Lau, Brian J Bennion, et al.
Plos One|April 16, 2015
A wrench in the works of human acetylcholinesterase: soman induced conformational changes revealed by molecular dynamics simulationsBrian J Bennion, Sebnem G Essiz, Edmond Y Lau, et al.
Biomechanics and Modeling in Mechanobiology|January 9, 2015
A high-resolution computational model of the deforming human heartViatcheslav Gurev, Pras Pathmanathan, Jean-Luc Fattebert, et al.
The Journal of Chemical Physics|March 29, 2024
Hybrid programming-model strategies for GPU offloading of electronic structure calculation kernelsJean-Luc Fattebert, Christian F A Negre, Joshua Finkelstein, et al.
Pageof 2

Showing results (1-10 of 12) with videos related to

Sort By:
Pageof 2
Journal of Computational Chemistry|April 10, 2002
Density functional theory for efficient ab initio molecular dynamics simulations in solutionJean-Luc Fattebert, François Gygi
Physical Review Letters|March 4, 2014
Accurate and scalable O(N) algorithm for first-principles molecular-dynamics computations on large parallel computersDaniel Osei-Kuffuor, Jean-Luc Fattebert
The Journal of Chemical Physics|May 30, 2006
Stacking of oligo- and polythiophene cations in solution: surface tension and dielectric saturationDamián A Scherlis, Jean-Luc Fattebert, Nicola Marzari
The Journal of Chemical Physics|September 11, 2023
A fast, dense Chebyshev solver for electronic structure on GPUsJoshua Finkelstein, Christian F A Negre, Jean-Luc Fattebert
The Journal of Chemical Physics|February 25, 2006
A unified electrostatic and cavitation model for first-principles molecular dynamics in solutionDamián A Scherlis, Jean-Luc Fattebert, François Gygi, et al.
Journal of the American Chemical Society|October 21, 2004
Optical properties of silicon clusters in the presence of water: a first principles theoretical analysisDavid Prendergast, Jeffrey C Grossman, Andrew J Williamson, et al.
Journal of Chemical Theory and Computation|December 9, 2015
Large-Scale First-Principles Molecular Dynamics Simulations with Electrostatic Embedding: Application to Acetylcholinesterase CatalysisJean-Luc Fattebert, Edmond Y Lau, Brian J Bennion, et al.
Plos One|April 16, 2015
A wrench in the works of human acetylcholinesterase: soman induced conformational changes revealed by molecular dynamics simulationsBrian J Bennion, Sebnem G Essiz, Edmond Y Lau, et al.
Biomechanics and Modeling in Mechanobiology|January 9, 2015
A high-resolution computational model of the deforming human heartViatcheslav Gurev, Pras Pathmanathan, Jean-Luc Fattebert, et al.
The Journal of Chemical Physics|March 29, 2024
Hybrid programming-model strategies for GPU offloading of electronic structure calculation kernelsJean-Luc Fattebert, Christian F A Negre, Joshua Finkelstein, et al.
Pageof 2