国际化学前沿研讨会第二轮通知（会议日程更新）

Time

Lecture

Friday9^th August 2024 (OU YA MEI INTERNATIONAL HOTEL)

08:00-21:00

Arriving and Registration

Saturday10^th August 2024  (Room C100, No. 5 Hainayuan Building)

08:30-08:50

Opening Remarks

Group Photo

08:50-09:30

Periselectivity and Pericyclases

Kendall N. Houk-University of California, Los Angeles

09:30-10:00

Strain-Release Controlled [4+2+1] and [4+1] Reactions & Arene Hydrogenation Reaction

under 1 atm Hydrogen Gas and Room Temperature   

Zhi-Xiang Yu-Peking University

10:00-10:30

Coffee Break and Poster Session

10:30-11:00

C-C Bond Nitrogenation

Ning Jiao-Peking University

11:00-11:30

Machine Learning Meets Quantum Chemical Predictions of Reactivity and Selectivity

Robert S. Paton-Colorado State University

11:30-12:00

Bridging Chemical Knowledge and Machine Learning for Selectivity Prediction of Organic Synthesis

Xin Hong-Zhejiang University

12:00-13:30

Lunch Break

13:30-14:10

TBD

Yundong Wu-Peking University

14:10-14:40

Mutexa: A Computational Ecosystem for Protein Engineering

Zhongyue (John) Yang-Vanderbilt University

14:40-15:10

Structure-Selectivity Relationship Study of Dimeric BINOL-Derived IDPi Catalysts

Gui-Juan Cheng-The Chinese University of Hong Kong

15:10-16:00

Coffee Break and Poster Session

16:00-16:30

Learning to Computationally Design Better Molecular Inorganometallic Catalysts

Daniel H. Ess- Brigham Young University

16:30-17:00

Mechanism of Electrical Regulation

Yu Lan-Zhengzhou University

17:00-17:30

TBD

Yong Liang-Nanjing University

17:30-18:00

Introducing Main Group Elements into Strained Metallacycles: Synthesis, Reactivities, and Computations

Hong Zhang-Xiamen University

18:00-18:30

Computational Exploration of Transition Metal-Catalyzed C−H Functionalization

Yun-Fang Yang-Zhejiang University of Technology

Sunday11^thAugust 2024  (Room C100, No. 5 Hainayuan Building)

08:30-09:10

Evolution of Free-Energy Calculations from Butane to Drug Discovery

William L. Jorgensen-Yale University

09:10-09:40

Insights on Structure and Reaction Mechanism Enabled by Computational Chemistry & Machine Learning Methods

Lung Wa CHUNG-Southern University of Science and Technology

09:40-10:10

Theoretical Study on the Supramolecular Metal Organic Cage-Catalyzed Cyclization Reactions  

Li-Ping Xu-Shandong University

10:10-10:40

Coffee Break and Poster Session

10:40-11:10

Design Principles for Sustainable Chemistry: A Theoretical and Machine Learning Approach

Seonah Kim-Colorado State University

11:10-11:40

Mechanism and Data Guided Group Transfer Reagent Design

Xiao-Song Xue-Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences

11:40-12:10

Spin control on Iron-catalyzed reactions from the Computational Perspective

Qian Peng-Nankai University

12:10-13:30

Lunch Break

13:30-14:10

Blue Light Emitting Phosphorescent Platinum(II) Complexes with Cyclometalated NHC Ligands

Thomas Strassner-TU Dresden

14:10-14:40

Investigation of Non-Covalent Interactions with Computed Atom-in-Molecule Polarizability

Pei-Yuan Yu-Southern University of Science and Technology

14:40-15:10

(Un)Leveling the Playing Field: Leveraging Destabilization in Transition-Metal Catalysis

Shuming Chen-Oberlin College

15:10-15:30

Coffee Break and Poster Session

15:30-16:00

Energy Decomposition Analysis: From Bioorthogonal Reactions to Multidimensional Potential Energy Surfaces

Dennis Svatunek-TU Wien

16:00-16:30

Exploration of Research and Design Strategies for Thermally Activated Delayed Fluorescence Materials

Luyi Zou-Jilin University

16:30-17:00

Closing Remarks

参会人员

7月15日（含）之前

7月15日之后

学生参会

1500

2000

教师参会

2000

2500