This paper proposes and evaluates APIs for Inter-Core Time Aggregation Scheduler (IAS), which is a kernel-level thread scheduler to enhance performances of multi-threaded programs ...
We address the problem of data parallel processing for computational quantum chemistry (CQC). CQC is a computationally demanding tool to study the electronic structure of molecule...
Tirath Ramdas, Gregory K. Egan, David Abramson, Ki...
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. ...