Machine Learning-Driven Multiscale Modeling: Bridging the Scales with a Next-Generation Simulation Infrastructure.
Helgi I. Ingolfsson,Harsh Bhatia,Fikret Aydin,Tomas Oppelstrup,Cesar A. Lopez,Liam G. Stanton,Timothy S. Carpenter,Sergio Wong,Francesco Di Natale,Xiaohua Zhang,Joseph Y. Moon,Christopher B. Stanley,Joseph R. Chavez,Kien Nguyen,Gautham Dharuman,Violetta Burns,Rebika Shrestha,Debanjan Goswami,Gulcin Gulten,Que N. Van,Arvind Ramanathan,Brian Van Essen,Nicolas W. Hengartner,Andrew G. Stephen,Thomas Turbyville,Peer-Timo Bremer,S. Gnanakaran,James N. Glosli,Felice C. Lightstone,Dwight V. Nissley,Frederick H. Streitz JOURNAL OF CHEMICAL THEORY AND COMPUTATION（2023）
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