Machine Learning-Driven Multiscale Modeling: Bridging the Scales with a Next-Generation Simulation Infrastructure
机器学习驱动的多尺度建模:利用下一代仿真基础设施连接不同尺度
期刊:Journal of Chemical Theory and Computation
影响因子:5.5
doi:10.1021/acs.jctc.2c01018
Ingólfsson, Helgi I; Bhatia, Harsh; Aydin, Fikret; Oppelstrup, Tomas; López, Cesar A; Stanton, Liam G; Carpenter, Timothy S; Wong, Sergio; Di Natale, Francesco; Zhang, Xiaohua; Moon, Joseph Y; Stanley, Christopher B; Chavez, Joseph R; Nguyen, Kien; Dharuman, Gautham; Burns, Violetta; Shrestha, Rebika; Goswami, Debanjan; Gulten, Gulcin; Van, Que N; Ramanathan, Arvind; Van Essen, Brian; Hengartner, Nicolas W; Stephen, Andrew G; Turbyville, Thomas; Bremer, Peer-Timo; Gnanakaran, S; Glosli, James N; Lightstone, Felice C; Nissley, Dwight V; Streitz, Frederick H