AHPCRC Technical Areas
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| Air flow over building | Blood cell microcirculation | Antimicrobial peptide and micelle |
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| Protein helices and sidechains | Dislocations in metal thin film | Barium titanate ferroelectric |
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.
| Projects and People |
2–1: Dispersion of Biological Warfare Agents (BWAs) in Attack Zones
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2–2: Micro- and Nanofluidic Simulations for BWA Sensing and Blood Additive Development
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2–3: Design of Antimicrobial Peptides for Nano-engineered Active Coatings
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2–4: Protein Structure Prediction for Virus Particles
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2–5: Nanoscale Dislocation Dynamics in Crystals
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2–6: Multiscale Modeling of Materials
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2–7: Graphene Chemistry for Electronics Applications (new project)
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