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Updated: Jan 15, 2026

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GMSAC:通过改进的遗传算法和嵌入式原子方法搜索固体和合金的全球最小结构的新软件

Yang-Yang Zhang1

  • 1Fundamental Science Center of Rare Earths, Ganjiang Innovation Academy, Chinese Academy of Sciences, Ganzhou, China.

Journal of computational chemistry
|January 14, 2026
PubMed
概括

一个新的GMSAC包通过将遗传算法 (GA) 与嵌入式原子方法 (EAM) 结合起来,加速合金的发现. 这个计算工具准确地预测全球最小结构,对于设计先进材料至关重要.

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Mechanistic Models: Compartment Models in Algorithms for Numerical Problem Solving01:29

Mechanistic Models: Compartment Models in Algorithms for Numerical Problem Solving

Mechanistic models play a crucial role in algorithms for numerical problem-solving, particularly in nonlinear mixed effects modeling (NMEM). These models aim to minimize specific objective functions by evaluating various parameter estimates, leading to the development of systematic algorithms. In some cases, linearization techniques approximate the model using linear equations.
In individual population analyses, different algorithms are employed, such as Cauchy's method, which uses a...
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