학술논문
The ΛNTON 3 ASIC: a Fire-Breathing Monster for Molecular Dynamics Simulations
Document Type
Conference
Author
Adams, Peter J.; Batson, Brannon; Bell, Alistair; Bhatt, Jhanvi; Butts, J. Adam; Correia, Timothy; Edwards, Bruce; Feldmann, Peter; Fenton, Christopher H.; Forte, Anthony; Gagliardo, Joseph; Gill, Gennette; Gorlatova, Maria; Greskamp, Brian; Grossman, J.P.; Hunt, Jeremy; Jackson, Bryan L.; Kirk, Mollie M.; Kuskin, Jeffrey S.; Mader, Roy J.; McGowen, Richard; McLaughlin, Adam; Moraes, Mark A.; Nasr, Mohamed; Nociolo, Lawrence J.; O'Donnell, Lief; Parker, Andrew; Peticolas, Jon L.; Quan, Terry; Schwink, T. Carl; Shim, Keun Sup; Siddique, Naseer; Spengler, Jochen; Theobald, Michael; Towles, Brian; Vick, William; Wang, Stanley C.; Wazlowski, Michael; Weingarten, Madeleine J.; Williams, John M.; E.Shaw, David
Source
2021 IEEE Hot Chips 33 Symposium (HCS) Hot Chips 33 Symposium (HCS), 2021 IEEE. :1-22 Aug, 2021
Subject
Language
ISSN
2573-2048
Abstract
• 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