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JCC
2007
151views more  JCC 2007»
15 years 7 months ago
New parallel algorithm for MP2 energy gradient calculations
Abstract: A new parallel algorithm has been developed for calculating the analytic energy derivatives of full accuracy second order Møller-Plesset perturbation theory (MP2). Its m...
Kazuya Ishimura, Peter Pulay, Shigeru Nagase
JCC
2007
110views more  JCC 2007»
15 years 7 months ago
Electron correlation: The many-body problem at the heart of chemistry
Abstract: The physical interactions among electrons and nuclei, responsible for the chemistry of atoms and molecules, is well described by quantum mechanics and chemistry is theref...
David P. Tew, Wim Klopper, Trygve Helgaker
CHI
2007
ACM
16 years 7 months ago
A cognitive constraint model of dual-task trade-offs in a highly dynamic driving task
The paper describes an approach to modeling the strategic variations in performing secondary tasks while driving. In contrast to previous efforts that are based on simulation of a...
Duncan P. Brumby, Andrew Howes, Dario D. Salvucci
CHI
2007
ACM
16 years 7 months ago
iStuff mobile: rapidly prototyping new mobile phone interfaces for ubiquitous computing
iStuff Mobile is the first rapid prototyping framework that helps explore new sensor-based interfaces with existing mobile phones. It focuses on sensor-enhanced physical interface...
Rafael Ballagas, Faraz Memon, Rene Reiners, Jan O....
DAGSTUHL
2003
15 years 8 months ago
Policies: Giving Users Control over Calls
Abstract. Features provide extensions to a basic service, but in new systems users require much greater flexibility oriented towards their needs. Traditional features do not easil...
Stephan Reiff-Marganiec