Abstract: A hybrid quantum mechanical/molecular mechanical (QM/MM) potential energy function with HartreeFock, density functional theory (DFT), and post-HF (RIMP2, MP2, CCSD) capab...
H. Lee Woodcock III, Milan Hodoscek, Andrew T. B. ...
Background: The explosion in biological information creates the need for databases that are easy to develop, easy to maintain and can be easily manipulated by annotators who are m...
J. Daniel Navarro, Naveen Talreja, Suraj Peri, B. ...
We show that inclusion order and single-step inclusion coincide for higher Bruhat orders B(n; 2), i.e., B(n; 2) = B (n; 2). Mathematics Subject Classi cations (1991). 06A06, 51G05,...
: The accelerated development in Peer-to-Peer (P2P) and Grid computing has positioned them as promising next generation computing platforms. They enable the creation of Virtual Ent...
Rajkumar Buyya, David Abramson, Jonathan Giddy, He...
This paper describes new methods for maintaining a point-location data structure for a dynamically changing monotone subdivision S. The main approach is based on the maintenance of...