PMID- 12964195
OWN - NLM
STAT- PubMed-not-MEDLINE
DCOM- 20040316
LR  - 20030909
IS  - 0192-8651 (Print)
IS  - 0192-8651 (Linking)
VI  - 24
IP  - 14
DP  - 2003 Nov 15
TI  - Development of a multipopulation parallel genetic algorithm for structure 
      solution from powder diffraction data.
PG  - 1766-74
AB  - Previously, the genetic algorithm (GA) approach for direct-space crystal 
      structure solution from powder diffraction data has been applied successfully in 
      the structure determination of a range of organic molecular materials. In this 
      article, we present a further development of our approach, namely a 
      multipopulation parallel GA (PGA), which is shown to give rise to increased 
      speed, efficiency, and reliability of structure solution calculations, as well as 
      providing new opportunities for further optimizing our GA methodology. The 
      multipopulation PGA is based on the independent evolution of different 
      subpopulations, with occasional interaction (e.g., transfer of structures) 
      allowed to occur between the different subpopulations. Different strategies for 
      carrying out this interpopulation communication are considered in this article, 
      and comparisons are made to the conventional single-population GA. The increased 
      power offered by the PGA approach creates the opportunity for structure 
      determination of molecular crystals of increasing complexity.
CI  - Copyright 2003 Wiley Periodicals, Inc.
FAU - Habershon, Scott
AU  - Habershon S
AD  - School of Chemical Sciences, University of Birmingham, Edgbaston, Birmingham B15 
      2TT, United Kingdom.
FAU - Harris, Kenneth D M
AU  - Harris KD
FAU - Johnston, Roy L
AU  - Johnston RL
LA  - eng
PT  - Journal Article
PL  - United States
TA  - J Comput Chem
JT  - Journal of computational chemistry
JID - 9878362
EDAT- 2003/09/10 05:00
MHDA- 2003/09/10 05:01
CRDT- 2003/09/10 05:00
PHST- 2003/09/10 05:00 [pubmed]
PHST- 2003/09/10 05:01 [medline]
PHST- 2003/09/10 05:00 [entrez]
AID - 10.1002/jcc.10326 [doi]
PST - ppublish
SO  - J Comput Chem. 2003 Nov 15;24(14):1766-74. doi: 10.1002/jcc.10326.