This repository focuses on optimizing classical interatomic potentials using machine learning and optimization algorithms. The aim is to enhance the accuracy and efficiency of traditional potential functions, improving simulations in computational materials science. The project is currently ongoing. 20241017
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This repository focuses on optimizing classical interatomic potentials using machine learning and optimization algorithms. The aim is to enhance the accuracy and efficiency of traditional potential functions, improving simulations in computational materials science. The project is currently ongoing.
WenxiXie/ML-Optimized-Interatomic-Potentials
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This repository focuses on optimizing classical interatomic potentials using machine learning and optimization algorithms. The aim is to enhance the accuracy and efficiency of traditional potential functions, improving simulations in computational materials science. The project is currently ongoing.
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