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ICCS
2005
Springer
13 years 11 months ago
Automated Operation Minimization of Tensor Contraction Expressions in Electronic Structure Calculations
Abstract. Complex tensor contraction expressions arise in accurate electronic structure models in quantum chemistry, such as the Coupled Cluster method. Transformations using algeb...
Albert Hartono, Alexander Sibiryakov, Marcel Nooij...
HICSS
1995
IEEE
105views Biometrics» more  HICSS 1995»
13 years 9 months ago
A parallel algorithm for calculating the potential energy in DNA
The Dreiding force field is a seven-term equation that describes the potential energy in a molecule as a function of the relative positions of bonded atoms and electrostatic inte...
John S. Conery, Warner L. Peticolas, Thomas Rush I...
SLIP
2006
ACM
13 years 11 months ago
Statistical crosstalk aggressor alignment aware interconnect delay calculation
Crosstalk aggressor alignment induces significant interconnect delay variation and needs to be taken into account in a statistical timer. In this paper, we approximate crosstalk ...
Andrew B. Kahng, Bao Liu, Xu Xu
MONET
2006
97views more  MONET 2006»
13 years 5 months ago
Pre-Reply Probe and Route Request Tail: Approaches for Calculation of Intra-Flow Contention in Multihop Wireless Networks
Several applications have been envisioned for multihop wireless networks that require different qualities of service from the network. In order to support such applications, the n...
Kimaya Sanzgiri, Ian D. Chakeres, Elizabeth M. Bel...
JCC
2008
131views more  JCC 2008»
13 years 5 months ago
An optimized initialization algorithm to ensure accuracy in quantum Monte Carlo calculations
: Quantum Monte Carlo (QMC) calculations require the generation of random electronic configurations with respect to a desired probability density, usually the square of the magnitu...
Daniel R. Fisher, David R. Kent IV, Michael T. Fel...