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Potencial Interatómico Avanzado de Aprendizaje Automático para Simulaciones Atomísticas Aceleradas de la Dinámica de
Yujie Liao1, Pengfei Suo2, Changhao Wang1,3
1Zhejiang Laboratory, Hangzhou 311100, P. R. China.
ACS applied materials & interfaces
|December 31, 2025
Resumen
El desarrollo de ánodos avanzados de silicio-carbono para baterías de iones de litio requiere la comprensión de la litiación. Un nuevo modelo de aprendizaje automático acelera las simulaciones atomísticas, revelando que una capa de carbono de ~4 nm reduce de manera óptima la expansión volumétrica para mejorar la estabilidad de la batería.
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