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» Computation in Sofic Quantum Dynamical Systems
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STOC
2001
ACM
122views Algorithms» more  STOC 2001»
14 years 5 months ago
One-dimensional quantum walks
In this paper we analyze the behavior of quantum random walks. In particular we present several new results for the absorption probabilities in systems with both one and two absor...
Andris Ambainis, Eric Bach, Ashwin Nayak, Ashvin V...
ICPPW
2006
IEEE
13 years 11 months ago
Dynamic Algorithm Selection in Parallel GAMESS Calculations
Applications augmented with adaptive capabilities are becoming common in parallel computing environments which share resources such as main memory, network, or disk I/O. For large...
Nurzhan Ustemirov, Masha Sosonkina, Mark S. Gordon...
JCC
2002
73views more  JCC 2002»
13 years 4 months ago
Linear scaling approaches to quantum macromolecular similarity: Evaluating the similarity function
: The evaluation of the electron density based similarity function scales quadratically with respect to the size of the molecules for simplified, atomic shell densities. Due to the...
Pere Constans
CIBCB
2006
IEEE
13 years 11 months ago
A Stochastic model to estimate the time taken for Protein-Ligand Docking
Abstract— Quantum mechanics and molecular dynamic simulation provide important insights into structural configurations and molecular interaction data today. To extend this atomi...
Preetam Ghosh, Samik Ghosh, Kalyan Basu, Sajal K. ...
IPPS
2010
IEEE
13 years 2 months ago
Enhancing adaptive middleware for quantum chemistry applications with a database framework
Quantum chemistry applications such as the General Atomic and Molecular Electronic Structure System (GAMESS) that can execute on a complex peta-scale parallel computing environment...
Lakshminarasimhan Seshagiri, Meng-Shiou Wu, Masha ...