'Molecular dynamics' diaporamas de présentation

Introduction to Bioinformatics

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PWscf, FPMD and CP (Democritos Package) Tutorial

PWscf, FPMD and CP (Democritos Package) Tutorial. Carlo Cavazzoni (High Performance Computing Group) CINECA. Outline. ab-initio simulations introduction PWSCF and Democritos package Installation Functionality Simple examples. The scope of computer simulation.

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Jianlin Cheng, PhD Assistant Professor Computer Science Department & Informatics Institute University of Missouri, C

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D. P. Landau Center for Simulational Physics The University of Georgia ? Introduction and perspective Methodolog

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Electronic structure

Electronic structure. Important question: Why certain materials are metals and others are insulators?

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Peter C. Preusch, Ph.D. Pharmacology, Physiology, and Biological Chemistry Division National Institute of General Me

Principles of Clinical Pharmacology January 10, 2007 Module 2: Drug Metabolism and Transport Unit 6: Equilibrative and Concentrative Drug Transport. Peter C. Preusch, Ph.D. Pharmacology, Physiology, and Biological Chemistry Division

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Analytic Methods

Analytic Methods. Bjorn Engquist University of Texas at Austin Tutorial on analytic multi-scale techniques in the IPAM program: Bridging Time and Length Scales in Materials Science and Bio-Physics, September 15-16. Outline. Overview 1.1 Multi-scale models 1.2 Computational complexity

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CIS 565: GPU Programming and Architecture

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Well Separated Pair Decomposition

Well Separated Pair Decomposition. 16 GigaYears and 3.3 Million Light Years Playing. Applications. Astronomy Molecular Dynamics Fluid Dynamics Plasma Physics And Guess What: Surface Reconstruction. N-Body Simulation.

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The Anton Project at the National Resource for Biomedical Supercomputing

The Anton Project at the National Resource for Biomedical Supercomputing. HPC User Forum Houston, TX April 6, 2011. Contributors. Joel Stiles, Ph.D , M.D. Director, NRBSC Markus Dittrich , Senior Scientific Specialist NRBSC Ralph Roskies , Scientific Director, PSC

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Ludek Matyska, CESNet on behalf of HealthGrid National University of Singapore , May 4th, 2010

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Evolution of Computational Approaches in NWChem

Evolution of Computational Approaches in NWChem. Eric J. Bylaska , W. De Jong, K. Kowalski, N. Govind, M. Valiev, and D. Wang High Performance Software Development Molecular Science Computing Facility. Outline. Overview of the capabilities of NWChem

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Electrostatic Potential on HLA-DPB1*1701 and HLA-DPB1*0401: Implications for Putative Mechanism of Chronic Beryllium Dis

Electrostatic Potential on HLA-DPB1*1701 and HLA-DPB1*0401: Implications for Putative Mechanism of Chronic Beryllium Disease. James A. Snyder, Ainsley Weston, Sally S. Tinkle and Eugene Demchuk. Health Effects Laboratory Division, National Institute for Occupational Safety and Health,

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PHY 7 11 Classical Mechanics and Mathematical Methods 10-10:50 AM MWF Olin 103

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Radiation Damage effects in alkali silicate glasses Thorsten Stechert Imperial College London 15/16 December 2010 Manche

Radiation Damage effects in alkali silicate glasses Thorsten Stechert Imperial College London 15/16 December 2010 Manchester Supervised by: Prof. Robin Grimes and Dr. Luc Vandeperre. Outline. Problem definition Modelling glasses Radiation damage effects Conclusions Further Work.

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Time fluctuations in density and dielectric constant of low and high density liquid water

Time fluctuations in density and dielectric constant of low and high density liquid water. ERIK LASCARIS, Boston University Cui Zhang, UC Davis Giulia A. Galli , UC Davis Giancarlo Franzese , Universitat de Barcelona H. Eugene Stanley, Boston University. Liquid-Liquid Phase Transition.

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Molecular Dynamics of PAMAM Dendrimers

Molecular Dynamics of PAMAM Dendrimers. Jovan Mijovic and Sanja Ristic (Polytechnic University) and Jose Kenny (University of Perugia, Italy). DMR-0346435 NSF-EC.

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NANOMESO: A NSF-EC Cooperative Activity on Nano/Meso Scale Effects on Crystal Plasticity Peter M. Anderson and Ju Li, Ohio State Univ. DMR 0502711 William D. Nix, Stanford University, DMR 0502208. NANOMESO Web Site: http://www.mse.osu.edu/~andersonp/nanomeso.html. Goals:

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THE EFFECT OF HIGH SALT CONCENTRATION ON PROTEIN DYNAMICS: MOLECULAR DYNAMICS SIMULATIONS OF P.WOESEI TATA BOX-BINDING P

THE EFFECT OF HIGH SALT CONCENTRATION ON PROTEIN DYNAMICS: MOLECULAR DYNAMICS SIMULATIONS OF P.WOESEI TATA BOX-BINDING PROTEIN. Nina Pastor 1 and Harel Weinstein 2

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