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A coupled (hybrid) potential QM/MM/MD simulations in Amber

A coupled (hybrid) potential QM/MM/MD simulations in Amber

A coupled (hybrid) potential QM/MM/MD simulations in Amber. Dr. Vladislav Vasilyev Supercomputer Facility The Australian National University. Hybrids are popular from the ancient time. Why Do We Need a Hybrid QM/MM Approach?.

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608 views • 34 slides
Generating FPGA-Accelerated DFT Libraries

Generating FPGA-Accelerated DFT Libraries

Generating FPGA-Accelerated DFT Libraries. Chi-Li Yu Nov. 13, 2007. Overview. Application: 1D/2D Discrete Fourier Transform Problem: Hardware-Software Partitioning Acceleration Based on FPGA Results (compared to software-only solution): Up to 7.5 times higher performance

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400 views • 25 slides
CIS 402: File Management Techniques Chapter 5

CIS 402: File Management Techniques Chapter 5

CIS 402: File Management Techniques Chapter 5. Managing Files of Records. Chapter Objectives. Extend the file structure concepts of Chapter 4: Search keys and canonical forms Sequential search and Direct access Files access and file organization

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454 views • 22 slides
Curtis Spencer Ezra Burgoyne

Curtis Spencer Ezra Burgoyne

An Internet Forum Index. Curtis Spencer Ezra Burgoyne. The Problem. Forums provide a wealth of information often overlooked by search engines. Semi-structured data provided by forums is not taken advantage of by popular search software (e.g. Google, Yahoo).

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324 views • 18 slides
Implementation of Parallel Processing Techniques on Graphical Processing Units

Implementation of Parallel Processing Techniques on Graphical Processing Units

Implementation of Parallel Processing Techniques on Graphical Processing Units . Brad Baker, Wayne Haney, Dr. Charles Choi. Industry Direction. High performance COTS computing is moving to multi-core and heterogeneous silicon. Multi-core CPU with smaller individual cores GPU co-processor.

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261 views • 9 slides
Feedback on the experiences of the BioMed DC

Feedback on the experiences of the BioMed DC

Feedback on the experiences of the BioMed DC. Nicolas Jacq LPC, IN2P3/CNRS, France. DC report. WISDOM statistics All instances not yet registered Wisdom.egee-eu.fr unavailable JRA2 statistics : Only with RB, biomed DC jobs were selected 1 missing RB (SINICA for technical reason)

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145 views • 5 slides

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