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遗传算法是模拟生物群体遗传学的基本原理解决实际问题的一种高效优化方法。在优化过程中 ,它无需体系的先验知识 ,能在许多局部较优中找到全局最优点 ,在解决复杂的非线性问题方面 ,该算法显示出广阔的发展前景。本文简要介绍了遗传算法的基本原理及其在化学领域中的若干应用。
Genetic algorithm is a highly efficient optimization method to simulate the basic principle of biological population genetics to solve practical problems. In the optimization process, it does not need prior knowledge of the system and can find the global optimum in many local optimums. The algorithm shows a great development prospect in solving complex nonlinear problems. This article briefly introduces the basic principles of genetic algorithms and their applications in the field of chemistry.