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Docking, Virtual Screening and MD in Drug Discovery
The use of computational methods had a major impact on modern drug design and is now firmly established as a necessary element of any drug development. A recent study by Boston Consulting estimated that the use of in silico methods saves … [more]
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Large-scale Classical Molecular Dynamics Simulations of Novel Nano-ceramic Matrix Composites
One of the key focus areas in the nanomaterials technology is the development of nanocrystalline materials with desired improvements in the mechanical, thermal, and electrical properties. Examples of such nanomaterials are nanocrystalline Al, Cu, … [more]
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Need for Grid Computing in High Energy Physics
The Large Hadron Collider (LHC), to be completed in 2007, will smash particles, protons to protons with nearly the speed of light to create conditions that occurred a few seconds after the Big Bang. These collisions will happen at an unprecedented … [more]
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September 11 WTC Attack Simulations Using LS-Dyna
The graphics group used professional animation and visualization tools to bring the simulation results of the 9/11 attack on the North Tower of the World Trade Center to life. Still images, papers, and animations are available here: … [more]
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High-performance Grid Computing Support for Detection, Identification, and Tracking in Sensor-Cyber
Detection, identification, and tracking (DIT) problems that arise in applications such as perimeter surveillance for suspected group activities or detection/assessment of radiation and chemical dispersions, require capabilities beyond those of … [more]
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PURE-NX
We propose developing PURE-NX: a real-time remote rendering and interactive visualization platform for Doppler weather radar data. PURE-NX allows users to interactively access, analyze, and visualize remote 3-D data. Moreover, such a system is … [more]
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Easy Sharing of NWICG Resources through iShare
iShare is an Internet sharing infrastructure – a follow-on effort to Purdue’s successful PUNCH project. iShare enables Internet-connected resources such as computer systems, storage systems, applications, and data to be shared easily. That is, … [more]
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On-Line Biometric Data Repository
The biometrics research group at Notre Dame conducts (with support from DARPA, ONR, AFOSR, NSF, ITIC, DOJ, and UNISYS) cutting-edge research and performance evaluation of multibiometric systems. Notre Dame currently hosts the largest open research … [more]
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A Distributed Active Storage Testbed for Scientific Applications on NWICG
Users with large computing needs have easy access to an enormous array of CPUs via systems such as the TeraGrid, the Open Science Grid, and (soon) NWICG. However, users of these systems are almost universally constrained by the performance of … [more]
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Parallel 3D Cellular Potts Model Package and its Applications
Morphogenesis is one of three fundamental mechanisms of developmental biology along with cell growth and differentiation. Understanding morphogenesis requires understanding the processes which control the spatial distribution of cells during … [more]
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Computational Models of Star Cluster Evolution
Star clusters in the Galaxy come in several varieties, ranging primarily in their size (number of stars) and distribution within the Galactic gravitational potential. A proper understanding of the observational results of star clusters requires … [more]
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Enhancing Electric System Reliability and Communications with the NWICG
This proposal seeks to conduct research and developmental activities to assist in enhancing reliability and communications for the interconnected electric transmission network. As evidenced by the huge financial and personal losses resulting from … [more]
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Enabling Scientific Collaboration using Application-Level Multicast
Scientific collaboration applications such as large-scale reliable transfer of data to multiple sites, web-service notification, and video conferencing (e.g. Access Grid) require the ability to efficiently disseminate high-bandwidth content to a … [more]
