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ITCC
2005
IEEE
14 years 1 months ago
Computing Molecular Potential Energy Surface with DIET
New developments in the field of theoretical chemistry require the computation of numerous Molecular Potential Energy Surfaces (PESs) to generate adequate quantum force field pa...
Emmanuel Jeannot, Gerald Monard
SOFSEM
2009
Springer
14 years 8 days ago
Randomness and Determination, from Physics and Computing towards Biology
In this text we will discuss different forms of randomness in Natural Sciences and present some recent results relating them. In finite processes, randomness differs in various ...
Giuseppe Longo
PROCEDIA
2010
86views more  PROCEDIA 2010»
13 years 6 months ago
Scaling of ab-initio nuclear physics calculations on multicore computer architectures
We discuss the scaling behavior of a state-of-the-art Configuration Interaction code for nuclear physics on modern multicore computer architectures. In the CI approach, the quant...
Pieter Maris, Masha Sosonkina, James P. Vary, Esmo...
QOSA
2009
Springer
14 years 2 months ago
Adaptive Application Composition in Quantum Chemistry
Abstract. Component interfaces, as advanced by the Common Component Architecture (CCA), enable easy access to complex software packages for high-performance scientific computing. ...
Li Li, Joseph P. Kenny, Meng-Shiou Wu, Kevin A. Hu...
ISNN
2009
Springer
14 years 2 months ago
An Improved Quantum Evolutionary Algorithm with 2-Crossovers
Quantum evolutionary algorithm (QEA) is proposed on the basis of the concept and principles of quantum computing, which is a classical metaheuristic algorithm for the approximate s...
Zhihui Xing, Haibin Duan, Chunfang Xu