ΛNTON 3 ASIC:用于分子动力学模拟的喷火怪物

2021 IEEE Hot Chips 33 Symposium (HCS) Pub Date : 2021-08-22 DOI:10.1109/HCS52781.2021.9567084

Peter Adams, Brannon Batson, Alistair Bell, Jhanvi Bhatt, J. A. Butts, Timothy Correia, B. Edwards, Peter Feldmann, Christopher H. Fenton, Anthony Forte, Joseph Gagliardo, Gennette Gill, M. Gorlatova, Brian Greskamp, J. P. Grossman, Jeremy Hunt, B. Jackson, Mollie M. Kirk, J. Kuskin, Roy Mader, R. McGowen, Adam McLaughlin, Mark A. Moraes, Mohamed Nasr, Lawrence J. Nociolo, Lief O'Donnell, A. Parker, Jon L. Peticolas, Terry Quan, T. C. Schwink, Keun Sup Shim, Naseer Siddique, Jochen Spengler, M. Theobald, Brian Towles, Williams Vick, Stanley C. Wang, M. Wazlowski, Madeleine J. Weingarten, J. Williams, David E.Shaw

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引用次数: 0

摘要

•通过运动理解生物分子系统•牛顿运动定律的数值积分-将原子模型为点质量-基于当前位置计算每个原子上的力-以几飞秒的离散时间步更新原子速度和位置•力计算由模型描述:力场

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

• 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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2021 IEEE Hot Chips 33 Symposium (HCS)

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