Machine Learning Force Fields and Coarse-Grained Variables in Molecular Dynamics: Application to Materials and Biological Systems
机器学习力场和粗粒化变量在分子动力学中的应用:在材料和生物系统中的应用
期刊:Journal of Chemical Theory and Computation
影响因子:5.5
doi:10.1021/acs.jctc.0c00355
Gkeka, Paraskevi; Stoltz, Gabriel; Barati Farimani, Amir; Belkacemi, Zineb; Ceriotti, Michele; Chodera, John D; Dinner, Aaron R; Ferguson, Andrew L; Maillet, Jean-Bernard; Minoux, Hervé; Peter, Christine; Pietrucci, Fabio; Silveira, Ana; Tkatchenko, Alexandre; Trstanova, Zofia; Wiewiora, Rafal; Lelièvre, Tony