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. ...
Computational fluid dynamics (CFD) of complex processes and complicated geometries embraces the transport of momentum, heat, and mass including the description of reaction kinetic...
We present an efficient online subpath profiling algorithm, OSP, that reports hot subpaths executed by a program in a given run. The hot subpaths can start at arbitrary basic block...
Robust and powerful software instrumentation tools are essential for program analysis tasks such as profiling, performance evaluation, and bug detection. To meet this need, we ha...
Chi-Keung Luk, Robert S. Cohn, Robert Muth, Harish...
There are many ways to train student employees, but hands-on experience is invaluable. To provide our Resident Computer Consultants (RCCs) with the experience they need to solve t...