About Speakers Schedule Transportation INS
The Workshop on Intelligent Computational Methods in Molecular Dynamics 分子动力学研究中的智能计算方法研讨会
menu The Workshop on Intelligent Computational Methods in Molecular Dynamics 分子动力学研究中的智能计算方法研讨会 About Speakers Schedule Transportation INS

Day 1, 21 November, Friday

Time Speaker Affiliation Title
08:00 - 20:00 报到注册 Guest Registration

Day 2, 22 November, Saturday

Time Speaker Affiliation Title
08:30 - 09:00 嘉宾领取物料 Guest Kits Pick-up
09:00 - 09:15 开幕式、参会人员合影 Opening Ceremony, Group Photo
09:15 - 09:50 李铁军 Tiejun Li 北京大学 Peking University Diffusion Generation on Manifolds
09:50 - 10:25 王磊 Lei Wang 中科院物理所凝聚态理论与计算实验室 Key Laboratory of Condensed Matter Theory and Computation, Chinese Academy of Sciences Neural Canonical Transformations
10:25 - 10:45 茶歇 Tea Break
10:45 - 11:20 Matteo Degiacomi 爱丁堡大学 University of Edinburgh Learning (from) Protein Dynamics
11:20 - 11:55 竺立哲 Lizhe Zhu 香港中文大学（深圳） The Chinese University of Hong Kong, Shenzhen Fine Rational Design of Biomolecules: GPCR agonists and Gene-editing Enzymes
11:55 - 14:00 午餐 Lunch
14:00 - 14:35 倪冉 Ran Ni 南洋理工大学 Nanyang Technological University Efficient Rare Event Sampling with Unsupervised Normalizing Flows
14:35 - 15:10 Bettina Keller 柏林自由大学 Freie Universität Berlin Thermal Isomerization of Retinal: the Interplay between Reaction Coordinates and Entropy
15:10 - 15:30 茶歇 Tea Break
15:30 - 16:05 蒋滢 Ying Jiang 绍兴文理学院 Shaoxing University 软物质体系扩散动力学调控机制的机器学习研究
16:05 - 16:40 黄晶 Jing Huang 西湖大学 Westlake University Towards More Efficient Simulation of Biomolecular Dynamics
16:40 - 16:50 Ryan Zhu 爱丁堡大学 University of Edinburgh Student's Report: Decoding Kinase Conformational Dynamics with Markov State Modelling
16:50 - 17:00 王晏 Yan Wang 同济大学 Tongji University Student's Report: Marginal Girsanov Reweighting: Stable Variance Reduction via Neural Ratio Estimation

Day 3, 23 November, Sunday

Time Speaker Affiliation Title
09:00 - 09:35 彭安洋 Anyang Peng 北京科学智能研究院 AI for Science Institute, Beijing Machine Learning for Atomistic Modeling: from Small Models to Large Atomistic Models
09:35 - 10:10 Ao Ma 伊利诺伊大学芝加哥分校 University of Illinois Chicago True Reaction Coordinates and Predictive Sampling of Protein Conformational Space
10:10 - 10:30 茶歇 Tea Break
10:30 - 11:05 张伟 Wei Zhang 柏林楚泽研究所 Zuse Institute Berlin Mathematical Aspects of Deep-learning Approaches for Identifying Collective Variables and Building Effective Dynamics of Molecular Dynamics
11:05 - 11:40 Feliks Nüske 马克斯普朗克复杂技术系统动力学研究所 Max Planck Institute for Dynamics of Complex Technical Systems Molecular Kinetics with Koopman Generators and Random Fourier Features
11:40 - 13:30 午餐 Lunch
13:30 - 14:05 王勇 Yong Wang 浙江大学 Zhejiang University Integrative Ensemble Modeling & Simulation of Proteins: Where AI, Exp. data and MD Meet
14:05 - 14:40 林绪波 Xubo Lin 北京航空航天大学 Beijing University of Aeronautics and Astronautics Developing Gas Force Field Parameters and Python Toolkit for Molecular Dynamics Simulations of Lipid Nanobubbles
14:40 - 15:00 茶歇 Tea Break
15:00 - 15:35 江瑛芝 Ying-Chih Chiang 香港中文大学（深圳） The Chinese University of Hong Kong, Shenzhen Toward AI-Assisted Antimicrobial Peptide Design
15:35 - 16:10 李烁辉 Shuohui Li 香港科技大学 Hong Kong University of Science and Technology Deep Generative Modelling of the Canonical Ensemble with Differentiable Thermal Properties
16:10 - 16:20 Michael Plainer 柏林自由大学 Freie Universität Berlin Student's Report: Molecular Dynamics with Energy-Based Diffusion Models
16:20 - 16:30 宋铁峰 Tiefeng Song 浙江大学 Zhejiang University Student's Report: Ligand Binding Kinetics, Thermodynamics, and Gating Mechanism in the Ancestral Insect Odorant Receptor MhOR5