TY - JOUR
T1 - Structural optimization of Lennard-Jones clusters by a genetic algorithm
AU - Deaven, D. M.
AU - Tit, N.
AU - Morris, J. R.
AU - Ho, K. M.
N1 - Funding Information:
Part of this work was made possible by the Scalable Computing Laboratory, which is funded by the Iowa State University and Ames Laboratory. Ames Laboratory is operated for the U.S. Department of Energy by Iowa State University under contract No. W-7405-Eng-82. This work was supported by the Director for Energy Research, Office of Basic Energy Sciences, and the High Performance Computing and Communications initiative.
PY - 1996/6
Y1 - 1996/6
N2 - We use a newly-developed genetic algorithm to determine the lowest energy atomic configurations of 2-100 atoms in the Lennard-Jones potential. Our method, which contains no bias to specific symmetries, yields structures which are identical to or are lower in energy than all previously published structures.
AB - We use a newly-developed genetic algorithm to determine the lowest energy atomic configurations of 2-100 atoms in the Lennard-Jones potential. Our method, which contains no bias to specific symmetries, yields structures which are identical to or are lower in energy than all previously published structures.
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U2 - 10.1016/0009-2614(96)00406-x
DO - 10.1016/0009-2614(96)00406-x
M3 - Article
AN - SCOPUS:0030170864
SN - 0009-2614
VL - 256
SP - 195
EP - 200
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 1-2
ER -