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» Computing Expectation Values for Molecular Quantum Dynamics
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71
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SIAMSC
2010
132views more  SIAMSC 2010»
14 years 11 months ago
Computing Expectation Values for Molecular Quantum Dynamics
Caroline Lasser, Susanna Röblitz
113
Voted
IPPS
2008
IEEE
15 years 7 months ago
Model-guided performance tuning of parameter values: A case study with molecular dynamics visualization
In this paper, we consider the interaction between application programmers and tools that automatically search a space of application-level parameters that are believed to impact ...
Yiinju L. Nelson, Bhupesh Bansal, Mary W. Hall, Ai...
87
Voted
DSN
2004
IEEE
15 years 4 months ago
Fault Tolerant Computation on Ensemble Quantum Computers
In ensemble (or bulk) quantum computation, all computations are performed on an ensemble of computers rather than on a single computer. Measurements of qubits in an individual com...
P. Oscar Boykin, Vwani P. Roychowdhury, Tal Mor, F...
72
Voted
JCC
2007
90views more  JCC 2007»
15 years 18 days ago
Aromaticity in linear polyacenes: Generalized population analysis and molecular quantum similarity approach
Abstract: The relative aromaticity of benzenoid rings in the linear polyacenes is investigated using two novel aromaticity approaches. According to the first, the aromaticity of i...
Patrick Bultinck, Robert Ponec, Ramon Carbó...
154
Voted
BIOCOMP
2006
15 years 2 months ago
Dynamic Bayesian Network (DBN) with Structure Expectation Maximization (SEM) for Modeling of Gene Network from Time Series Gene
Exploring gene regulatory network is a key topic in molecular biology. In this paper, we present a new dynamic Bayesian network (DBN) framework embedded with structural expectatio...
Yu Zhang, Zhidong Deng, Hongshan Jiang, Peifa Jia