大连理工大学主页平台管理系统 Lei Zhang--Home-- Accelerating Transition State Search and Ligand Screening for Organometallic Catalysis with Reactive Machine Learning Potential

Lei Zhang

Professor
Supervisor of Doctorate Candidates
Supervisor of Master's Candidates

Gender:Male
Alma Mater:Tsinghua University
Degree:Doctoral Degree
School/Department:School of Chemical Engineering
Discipline:Chemical Engineering
Business Address:西部校区化工实验楼D408
E-Mail:keleiz@dlut.edu.cn

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Accelerating Transition State Search and Ligand Screening for Organometallic Catalysis with Reactive Machine Learning Potential

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Date of Publication:2025-09-10

Journal:JOURNAL OF CHEMICAL THEORY AND COMPUTATION

ISSN No.:1549-9618

Key Words:CYCLE; DESIGN; ENERGY SURFACES; FORCE-FIELD; HYDROFORMYLATION; MECHANISM; NETWORK; OLEFIN HYDROGENATION; SMALL MOLECULES; TOOL

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