The patent badge is an abbreviated version of the USPTO patent document. The patent badge does contain a link to the full patent document.
The patent badge is an abbreviated version of the USPTO patent document. The patent badge covers the following: Patent number, Date patent was issued, Date patent was filed, Title of the patent, Applicant, Inventor, Assignee, Attorney firm, Primary examiner, Assistant examiner, CPCs, and Abstract. The patent badge does contain a link to the full patent document (in Adobe Acrobat format, aka pdf). To download or print any patent click here.
Patent No.:
Date of Patent:
Aug. 03, 2010
Filed:
Oct. 01, 2007
Applicant:
Kevin J. Bowers, Bridgewater, NJ (US);
Inventor:
Kevin J. Bowers, Bridgewater, NJ (US);
Assignee:
D. E. Shaw Research, LLC, New York, NY (US);
Attorney:
Primary Examiner:
Int. Cl.
CPC ...
G06F 17/50 (2006.01); G06G 7/48 (2006.01);
U.S. Cl.
CPC ...
Abstract
An improved constraint approach reduces the energy drift rate to acceptable levels. In an embodiment of this approach, massively parallel constrained velocity Verlet NVE (constant particle number, constant volume, constant energy) MD simulations can be run using single precision arithmetic with very low energy drift (e.g., ˜1 Kelvin per microsecond simulated time) using large timesteps (e.g., 2.5 fs) for typical systems and MD force fields.