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Keyword
- evolutionary algorithm1
- Bayesian optimization1
- Covalent adaptable network polymer1
- De novo molecule generation1
- LAQA1
- Pareto solutions1
- characteristic functional group monitoring1
- chromophore1
- creep deformation1
- crystal structure prediction1
- deep learning1
- first-principles calculations1
- free energy1
- semiconductor1
- shape-morphing polymer material1
- topological alternation1