'Classical md' diaporamas de présentation

Outline

Reactive Molecular Dynamics: Algorithms, Software, and Applications. Ananth Grama Computer Science, Purdue University ayg@cs.purdue.edu. Outline. Introduction Molecular Dynamics Methods vs. ReaxFF Sequential Realization: SerialReax Algorithms and Numerical Techniques Validation

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Molecular Dynamics

Molecular Dynamics.

379 views • 31 slides

Assorted Topics [Partly based on Chapters 9 & 10, Sholl & Steckel]

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PRISM Model Device

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Multi-organisation Grid Accounting System (MOGAS): PRAGMA deployment update

Multi-organisation Grid Accounting System (MOGAS): PRAGMA deployment update. A/Prof. Bu-Sung Lee, Francis School of Computer Engineering, Nanyang Technological University, Singapore. www.ntu-cg.ntu.edu.sg/mogas/pragma. MOGAS overview. PRAGMA MOGAS status. KISTI, Korea. NCSA, USA.

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Climate Simulation on ApGrid/TeraGrid at SC2003

Climate Simulation on ApGrid/TeraGrid at SC2003. Severs NCSA Cluster (225 CPU). Ninf-G. Client (AIST). Severs AIST Cluster (50 CPU) Titech Cluster (200 CPU) KISTI Cluster (25 CPU). Example - Hybrid QM/MD Simulation -. QM Server. QM Server. QM/MD simulation over the Pacific at SC2004.

185 views • 10 slides