AHPCRC Technical Areas
TA2: Computational Nanotechnologies and Biosciences
Lead: Eric Shaqfeh (Stanford)
Many important changes happen on a tiny scale—the scale of molecules, viruses, and sub-microscopic particles. Computer simulation is ideally suited for setting up realistic scenarios and studying the interplay of many factors. High performance computing can be used to design strong, lightweight materials “from the atoms up” or to model biological systems at the molecular level. The speed and capacity of massively parallel computers are key to simulating real-world phenomena such as particle flows on scales ranging from nanometers to city neighborhoods and nanoseconds to hours.
Graphic: Protein electron density map with calculated and experimental structures.
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2–1: Dispersion of Biological Warfare Agents (BWAs) in Attack Zones
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2–2: Micro- and Nano-fluidic Devices for Sorting and Sensing BWAs
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2–3: Molecular Dynamics Models of Antimicrobial Agents
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2–4: Protein Structure Prediction for Virus Particles
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2–5: Nano-Mechanics of Metal Plasticity in Thin Films and Cylinders
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