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A Genetic Algorithm for Conformational Search of Organic Molecules: Implications for Materials Chemistry
Milan Keser,
Samuel I. Stupp
Northwestern University
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peer-review
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Mathematics
Chemistry
Genetic Algorithm
Molecules
Conformation
Energy
Fitness
Niching
Predict
Self-assembly
Crossover
Diffraction
Electron
Replacement
Coding
Degree of freedom
Directly proportional
Scaling
Prediction
Minimise
Binary
Evaluation
Chemical Compounds
Conformations
Molecules
Genetic algorithms
Electron diffraction
Self assembly
X ray diffraction
Engineering & Materials Science
Conformations
Molecules
Genetic algorithms
Electron diffraction
Self assembly
X ray diffraction
Medicine & Life Sciences
X-Ray Diffraction
Electrons