Molecular dynamics

Results: 1160



#Item
881Atomic physics / Molecular physics / Computational chemistry / Theoretical chemistry / Electron / Electrical resistivity and conductivity / Energy level / Plasma / ReaxFF / Chemistry / Physics / Quantum chemistry

PHYSICAL REVIEW B 85, [removed]Electron dynamics of shocked polyethylene crystal Patrick L. Theofanis, Andres Jaramillo-Botero,* and William A. Goddard III† California Institute of Technology, Division of Chemist

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Source URL: www.psaap.caltech.edu

Language: English - Date: 2012-06-04 15:31:39
882Isoflavones / Biological matter / Lipid bilayer / Computational chemistry / Molecular modelling / Genistein / Hydrophobic mismatch / Daidzein / Molecular dynamics / Chemistry / Membrane biology / Biology

Article pubs.acs.org/JPCB Structure and Elasticity of Lipid Membranes with Genistein and Daidzein Bioflavinoids Using X-ray Scattering and MD Simulations Mohit Raghunathan,†,§ Yuriy Zubovski,†,⊥ Richard M. Venable

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Source URL: lipid.phys.cmu.edu

Language: English - Date: 2012-04-17 14:13:28
883Thermodynamics / Physical quantities / State functions / Molecule / Chemical bond / Temperature / Gas / Nanotechnology / Molecular dynamics / Chemistry / Physics / Science

The Science of Atoms and Molecules BY ROBERT TINKER “A dramatic revision of the science curriculum can generate a truly revolutionary way of teaching science in U.S. high schools.”

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Source URL: mw.concord.org

Language: English - Date: 2009-07-12 11:25:46
884Computational chemistry / Scientific modeling / Computer graphics / Operations research / Molecular dynamics / Simulation / Computer simulation / Nanotechnology / Visualization / Science / Computational science / Chemistry

Dynamic Modeling for Nanoscience Education Using the Molecular Workbench

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Source URL: mw.concord.org

Language: English - Date: 2010-06-25 13:26:04
885Computing / GPGPU / Video cards / Visual Molecular Dynamics / Nvidia / CUDA / Graphics processing unit / Beckman Institute / Urbana /  Illinois / Graphics hardware / Computer hardware / Champaign County /  Illinois

Experiences Developing and Maintaining Scientific Applications on GPU-Accelerated Platforms John E. Stone Theoretical and Computational Biophysics Group Beckman Institute for Advanced Science and Technology

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Source URL: rt.uits.iu.edu

Language: English - Date: 2013-10-02 10:13:20
886Molecular dynamics / Molecular modelling / Nanotechnology / United States Department of Energy National Laboratories / Simulation / Computer simulation / Particle / Mathematics / Science / Computational science / Computational chemistry

COMPOSE THE DOE CSGF ANNUAL ESSAY CONTEST JOURNAL THE DOE CSGF ESSAY CONTEST WINNING ESSAYS THE SIMULATED SIMULATOR,

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Source URL: www.krellinst.org

Language: English - Date: 2010-02-24 21:09:22
887Molecular modelling / Applied mathematics / Chemistry / Mathematical and theoretical biology / Computational biology / Molecular dynamics / Biomedical Computation Review / Simulation / Physics Abstraction Layer / Science / Computational chemistry / Bioengineering

Simbios Summary Simbios is a National Center for Biomedical Computing (NCBC). The NCBC program is part of the NIH Roadmap for Medical Research, and the National Center was established in response to RFA-RM[removed]http:/

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Source URL: simbios.stanford.edu

Language: English - Date: 2013-01-16 19:16:22
888Science / Intermolecular forces / Molecular modelling / Chemical bonding / Molecular dynamics / Lennard-Jones potential / Force field / Particle / Molecular graphics / Chemistry / Computational chemistry / Physics

Microsoft Word - beyondlj.doc

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Source URL: mw.concord.org

Language: English - Date: 2010-09-10 21:26:58
889Molecular modelling / Intermolecular forces / Molecular physics / Protein structure / Molecular dynamics / Force field / Molecular mechanics / Molecular graphics / Implicit solvation / Chemistry / Computational chemistry / Science

Molecular Dynamics for Everyone: A Technical Introduction to the Molecular Workbench Software Charles Xie The Advanced Educational Modeling Laboratory The Concord Consortium [removed] The world moves because molec

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Source URL: mw.concord.org

Language: English - Date: 2010-07-06 14:59:00
890Lipid bilayer / Model lipid bilayer / Lipid / Phospholipid / Amphiphile / Membrane protein / Antimicrobial peptides / Molecular dynamics / Pulmonary surfactant / Biology / Membrane biology / Chemistry

Molecular structures of fluid phase phosphatidylglycerol bilayers as determined by small angle neutron and X-ray scattering

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Source URL: lipid.phys.cmu.edu

Language: English - Date: 2012-07-21 15:03:12
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