Molecular Models
Mechanistic Models: Compartment Models in Algorithms for Numerical Problem Solving
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Jonathan A Semelak1,2, Ignacio Pickering3, Kate Huddleston3
1Facultad de Ciencias Exactas y Naturales, Departamento de Química Inorgánica, Analítica y Química Física, Universidad de Buenos Aires, Intendente Güiraldes 2160, Buenos Aires C1428EHA, Argentina.
本研究介绍了一种用于分子建模的新机器学习 (ML) 框架. 它在高效率的模拟中实现了量子级准确性,使复杂的化学系统分析更容易获得.
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