大连理工大学主页平台管理系统 Lei Zhang Machine learning potential model for accelerating quantum chemistry-driven property prediction and molecular design Home

Lei Zhang

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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
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Machine learning potential model for accelerating quantum chemistry-driven property prediction and molecular design

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Indexed by:Journal Papers

Document Code:471524

Date of Publication:2025-05-01

Journal:AICHE JOURNAL

Volume:71

Issue:5

ISSN:0001-1541

Key Words:ACETYLSALICYLIC-ACID; FRAMEWORK; OPTIMIZATION; PARAMETERS

Next One:A virtual screening framework based on the binding site selectivity for small molecule drug discovery

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