1. The ΛNTON 3 ASIC: a Fire-Breathing Monster for Molecular Dynamics Simulations
- Author
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Joseph Gagliardo, J. P. Grossman, Andrew Parker, Anthony Forte, Jeremy Hunt, Peter J. Adams, Brian Towles, Adam McLaughlin, Michael Theobald, Jochen Spengler, Jon L. Peticolas, Keun Sup Shim, Mark A. Moraes, Madeleine J. Weingarten, Naseer Siddique, Gennette Gill, Lawrence J. Nociolo, Michael Wazlowski, Jhanvi Bhatt, Bryan L. Jackson, Brannon Batson, Timothy Correia, Jeffrey S. Kuskin, T. Carl Schwink, Stanley C. Wang, Terry Quan, Roy J. Mader, Alistair Bell, William Vick, Lief O'Donnell, Maria Gorlatova, Peter Feldmann, Bruce Edwards, Mollie M. Kirk, Mohamed H. Nasr, J. Adam Butts, Richard McGowen, John M. Williams, Brian Greskamp, David E. Shaw, and Christopher H. Fenton
- Subjects
Molecular dynamics ,Classical mechanics ,Discrete time and continuous time ,Computer science ,Computation ,Dynamics (mechanics) ,Atom ,Physics::Atomic and Molecular Clusters ,Newton's laws of motion ,Physics::Atomic Physics ,Force field (chemistry) ,Numerical integration - 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
- Published
- 2021
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