The ΛNTON 3 ASIC: a Fire-Breathing Monster for Molecular Dynamics Simulations

2021 IEEE Hot Chips 33 Symposium (HCS)(2021)

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摘要
• Understand biomolecular systems through their motions •Numerical integration of Newton's laws of motion — Model atoms as point masses — Compute forces on every atom based on current positions — Update atom velocities and positions in discrete time steps of a few femtoseconds • Force computation described by a model: the force field
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关键词
Computational modeling,Biological system modeling,Force,Dynamics
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