Molecular dynamics

Results: 1160



#Item
811Software / Parallel computing / Video cards / GPGPU / Visual Molecular Dynamics / Concurrent computing / Tachyon / Graphics processing unit / Computer cluster / Computing / Computer hardware / Graphics hardware

Early Experiences Scaling VMD Molecular Visualization and Analysis Jobs on Blue Waters John E. Stone⇤ , Barry Isralewitz⇤ , and Klaus Schulten† ⇤ Beckman

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Source URL: www.xsede.org

Language: English - Date: 2013-09-03 15:14:21
812Polymer / Molecular dynamics / Polyethylene glycol / Solid / Tacticity / Carbon / Chemistry / Polymers / Polymer chemistry

Sensors and Actuators B[removed]–91 Molecular modeling of polymer composite–analyte interactions in electronic nose sensors A.V. Shevade, M.A. Ryan*, M.L. Homer, A.M. Manfreda, H. Zhou, K.S. Manatt

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Source URL: enose.jpl.nasa.gov

Language: English - Date: 2013-02-04 15:48:41
813Computational chemistry / Nanotechnology / Molecular machines / Integral membrane proteins / Molecular dynamics / Nanopore / Membrane protein / Cell membrane / Lipid bilayer / Biology / Chemistry / Membrane biology

[Highlights[removed]Theoretical and Computational Biophysics Group University of Illinois at Urbana-Champaign Beckman Institute for Advanced Science and Technology

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Source URL: www.ks.uiuc.edu

Language: English - Date: 2012-01-15 15:16:32
814Plasticity / Solid mechanics / Materials science / Discrete element method / Stress / Molecular dynamics / Algorithm / Size effect on structural strength / Physics / Mechanics / Continuum mechanics

Comput. Methods Appl. Mech. Engrg[removed]–2296 Contents lists available at ScienceDirect Comput. Methods Appl. Mech. Engrg. journal homepage: www.elsevier.com/locate/cma

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Source URL: www.geomechanics.caltech.edu

Language: English - Date: 2013-05-08 12:54:25
815NAMD / Visual Molecular Dynamics / Computational chemistry / Molecular modelling / Molecular dynamics / TCB / Computer science / Visualization / Software developer / Science / Application software / Computing

TCBG Clockwise from left: Laxmikant Kalé, Zan Luthey-Schulten, Emad Tajkhorshid, Aleksei Aksimentiev, Klaus Schulten The TCB group includes five U of I faculty – computer science

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Source URL: www.ks.uiuc.edu

Language: English - Date: 2005-10-17 14:27:18
816Measurement / Transport phenomena / Hydroxyl tagging velocimetry / Environmental chemistry / Chemistry / Physics / Fluid dynamics

Meas. Sci. Technol[removed]–1271. Printed in the UK PII: S0957[removed]Unseeded molecular flow tagging in cold and hot flows using ozone and

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Source URL: www.its.caltech.edu

Language: English - Date: 2008-04-24 12:35:09
817Crystal engineering / Metal-organic framework / Molecular modelling / Hydrogen storage / Molecular dynamics / Hydrogen / Bead / Poly / Chemistry / Matter / Optical materials

Tahir ÇAĞIN Laboratory for Computational Engineering of Nanomaterials and Devices http://che.tamu.edu/orgs/groups/Cagin/ Artie McFerrin Department of Chemical Engineering

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Source URL: sc.tamu.edu

Language: English - Date: 2009-05-07 17:07:26
818Computational chemistry / Nuclear magnetic resonance / Molecular physics / Operations research / Theoretical chemistry / Biomarker / Energy profile / Reaction coordinate / Mathematical optimization / Chemistry / Science / Physics

Optimal Reaction Coordinate as a Biomarker for the Dynamics of Recovery from Kidney Transplant Sergei V. Krivov1,2*, Hayley Fenton3, Paul J. Goldsmith4, Rajendra K. Prasad4, Julie Fisher2,3, Emanuele Paci1,2 1 School of

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Source URL: www.plos.org

Language: English - Date: 2014-06-18 13:21:33
819Computational chemistry / Molecular biology / Membrane biology / Molecular modelling / Bioinformatics / Molecular dynamics / Membrane protein / Lipid bilayer / Nuclear magnetic resonance / Biology / Science / Chemistry

[removed]UQ Summer Research Scholarship Program Research Projects offered by Science Faculty Schools School of Agriculture & Food Science ...................................................................................

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Source URL: www.science.uq.edu.au

Language: English - Date: 2014-08-04 03:13:09
820Electron microscopy / Crystallographic defects / Crystals / Dislocation / Molecular dynamics / Electron microscope / Transmission electron microscopy / Crystallite / Irradiation / Chemistry / Materials science / Physics

Center for Defect Physics in Structural Materials (CDP) EFRC Director: G. Malcolm Stocks Lead Institution: Oak Ridge National Laboratory Mission Statement: To enhance our fundamental understanding of the defects, defect

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Source URL: science.energy.gov

Language: English - Date: 2013-10-01 10:28:31
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