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CPHYSICS
2006
78views more  CPHYSICS 2006»
14 years 8 months ago
An enhanced version of SMMP - open-source software package for simulation of proteins
We describe a revised and updated version of the program package SMMP (Simple Molecular Mechanics for Proteins) [F. Eisenmenger, U.H.E. Hansmann, Sh. Hayryan, C.-K. Hu, Comput. Ph...
Frank Eisenmenger, Ulrich H. E. Hansmann, Shura Ha...
CPHYSICS
2006
68views more  CPHYSICS 2006»
14 years 8 months ago
Hyperfine structure parametrisation in Maple
In hyperfine structure examinations, routine high resolution spectroscopy methods have to be combined with exact fine structure calculations. The so-called magnetic A and electric...
Gediminas Gaigalas, O. Scharf, S. Fritzsche
CPHYSICS
2006
127views more  CPHYSICS 2006»
14 years 8 months ago
GenAnneal: Genetically modified Simulated Annealing
A modification of the standard Simulated Annealing (SA) algorithm is presented for finding the global minimum of a continuous multidimensional, multimodal function. We report resu...
Ioannis G. Tsoulos, Isaac E. Lagaris
CPHYSICS
2006
95views more  CPHYSICS 2006»
14 years 8 months ago
Efficient data processing and quantum phenomena: Single-particle systems
We study the relation between the acquisition and analysis of data and quantum theory using a probabilistic and deterministic model for photon polarizers. We introduce criteria fo...
H. De Raedt, Koen De Raedt, K. Michielsen, S. Miya...
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CPHYSICS
2006
95views more  CPHYSICS 2006»
14 years 8 months ago
Multibillion-atom molecular dynamics simulation: Design considerations for vector-parallel processing
Progress in adapting molecular dynamics algorithms for systems with short-range interactions to utilize the features of modern supercomputers is described. Efficient utilization o...
D. C. Rapaport