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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
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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
Speakers
李铁军 Tiejun Li
北京大学 Peking University
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Diffusion Generation on Manifolds
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
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Neural Canonical Transformations
Matteo Degiacomi
爱丁堡大学 University of Edinburgh
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Learning (from) Protein Dynamics
竺立哲 Lizhe Zhu
香港中文大学(深圳) The Chinese University of Hong Kong, Shenzhen
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Fine Rational Design of Biomolecules: GPCR agonists and Gene-editing Enzymes
倪冉 Ran Ni
南洋理工大学 Nanyang Technological University
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Efficient Rare Event Sampling with Unsupervised Normalizing Flows
Bettina Keller
柏林自由大学 Freie Universität Berlin
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Thermal Isomerization of Retinal: the Interplay between Reaction Coordinates and Entropy
蒋滢 Ying Jiang
绍兴文理学院 Shaoxing University
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软物质体系扩散动力学调控机制的机器学习研究
黄晶 Jing Huang
西湖大学 Westlake University
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Towards More Efficient Simulation of Biomolecular Dynamics
Ryan Zhu
爱丁堡大学 University of Edinburgh
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Student's Report: Decoding Kinase Conformational Dynamics with Markov State Modelling
王晏 Yan Wang
同济大学 Tongji University
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Student's Report: Marginal Girsanov Reweighting: Stable Variance Reduction via Neural Ratio Estimation
彭安洋 Anyang Peng
北京科学智能研究院 AI for Science Institute, Beijing
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Machine Learning for Atomistic Modeling: from Small Models to Large Atomistic Models
Ao Ma
伊利诺伊大学芝加哥分校 University of Illinois Chicago
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True Reaction Coordinates and Predictive Sampling of Protein Conformational Space
张伟 Wei Zhang
柏林楚泽研究所 Zuse Institute Berlin
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Mathematical Aspects of Deep-learning Approaches for Identifying Collective Variables and Building Effective Dynamics of Molecular Dynamics
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
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Molecular Kinetics with Koopman Generators and Random Fourier Features
王勇 Yong Wang
浙江大学 Zhejiang University
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Integrative Ensemble Modeling & Simulation of Proteins: Where AI, Exp. data and MD Meet
林绪波 Xubo Lin
北京航空航天大学 Beijing University of Aeronautics and Astronautics
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Developing Gas Force Field Parameters and Python Toolkit for Molecular Dynamics Simulations of Lipid Nanobubbles
江瑛芝 Ying-Chih Chiang
香港中文大学(深圳) The Chinese University of Hong Kong, Shenzhen
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Toward AI-Assisted Antimicrobial Peptide Design
Michael Plainer
柏林自由大学 Freie Universität Berlin
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Student's Report: Molecular Dynamics with Energy-Based Diffusion Models
宋铁峰 Tiefeng Song
浙江大学 Zhejiang University
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Student's Report: Ligand Binding Kinetics, Thermodynamics, and Gating Mechanism in the Ancestral Insect Odorant Receptor MhOR5
李烁辉 Shuohui Li
香港科技大学 Hong Kong University of Science and Technology
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Deep Generative Modelling of the Canonical Ensemble with Differentiable Thermal Properties