Structural optimization of Lennard-Jones clusters by a genetic algorithm
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.
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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