专利检索 ap:("California Institute of Technology") AND inv:"Anima Anandkumar" 第 1 页

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发明申请
Systems and Methods for Determining Molecular Structures with Molecular-Orbital-Based Features 审中-公开

公开(公告)号：US20200294630A1

公开(公告)日：2020-09-17

申请号：US16817489

申请日：2020-03-12

申请人： California Institute of Technology

发明人： Thomas F. Miller , Matthew G. Welborn , Lixue Cheng , Tamara Husch , Jialin Song , Nikola Kovachki , Dmitry Burov , Ying Shi Teh , Anima Anandkumar , Feizhi Ding , Sebastian Lee , Zhuoran Qiao , Ali Sahin Lale

IPC分类号： G16C10/00 , G16C20/70 , G16C20/50 , G06N20/00 , G06K9/62

摘要： Systems and methods for determining molecular structures based on molecular-orbital-based (MOB) features are described. MOB features can be utilized in combination with machine-learning methods to predict accurate properties, such as quantum mechanical energy, of molecular systems.