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Date：
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  • 2025/08/29
  • 2025/08/30
  • 2025/08/31
  • 2025/09/01
Hall：
  • All
  • China- Korea Subconference
  • Young Scientist Forum of Nanotechnology
  • Cell Press and Materials Today Forum on Nanomaterials in Bioelectronics
  • Small Sciences Symposium
  • ACS Publications Nano Summit
  • AIPP Horizon in Nanoscience: Small in Scale, Vast in Application
  • Convention 201B
  • Convention 201C
  • Session-7
  • Session-9
  • Session-13
  • Female Scientists Forum
  • Convention Hall 1
  • Convention Hall 2
  • Session-1
  • Session-2
  • Session-4
  • Session-5
  • Session-6
  • Session-8
  • Session-10
  • Session-11
  • Session-12
  • Session-14B
  • Session-14C
  • Session-15
  • Room 303
  • Room 311C
  • Room 303
  • 305E, third floor
  • Deep Dive Dialogue: Challenges, Innovations, and the Road Ahead for Cutting-Edge Nanoscience
Subject：
  • All
  • Opening Ceremony & Plenary Presentations (I)
  • 13- Nano-bio Analysis, Nanobioimaging and Diagnostics
  • Female Scientists Forum
  • China- Korea Subconference
  • Young Scientist Forum of Nanotechnology
  • Closing Ceremony & Plenary Presentations (II)
  • 1-2D Nanomaterials and Nanodevices
  • 2-Inorganic/Porous Nanomaterials 
  • 3- Organic/Printing Electronics
  • 4-Self-assembly
  • 5-Nano-Composites and Applications
  • 6-Nanocatalysis and Applications
  • 7-Energy and Sensing Nanotechnology
  • 8-Nanocharacterization and Applications
  • 9- Nanostandardization and Applications
  • 10-Modeling and Simulation of Nanostructures
  • 11-Nanofabrication
  • 12-Biological and Bioinspired Nanomaterials
  • 14B- Nanobiotechnology and Nanomedicine
  • 14C-Nanobiotechnology and Nanomedicine
  • 15-Nano/Bio interface: Nanosafety and beyond
  • Small Sciences Symposium
  • Cell Press and Materials Today Forum on Nanomaterials in Bioelectronics
  • ACS Publications Nano Summit
  • AIPP Horizon in Nanoscience: Small in Scale, Vast in Application
  • Deep Dive Dialogue: Challenges, Innovations, and the Road Ahead for Cutting-Edge Nanoscience

2025/08/30

Session-10

2025/08/30 13:30-15:40 10-Modeling and Simulation of Nanostructures
Chair ：
Xueqing Gong Shanghai Jiao Tong University, China 丨 Zhuhua Zhang Nanjing University of Aeronautics and Astronautics, China
13:30-13:50 Keynote

Bond Dipole-Based Geometric Theory of Band Alignment- A New Insight on the Particle-Wave Duality in Solids

Shengbai Zhang Rensselaer Polytechnic Institute, The United States
13:50-14:10 Keynote

AI-Driven Stability Theory of Supported Metal Catalyst

Weixue Li University of Science and Technology of China, China
14:10-14:25 Invited

Phase Stability and Electron-Phonon Coupling Modulation in Two-Dimensional Chalcogenides

Yongqing Cai University of Macau, China
14:25-14:40 Invited

Beyond Altermagnetism: Unconventional Magnetism

Qihang Liu Southern University of Science and Technology, China
14:40-14:55 Invited

Surface and Interface Catalysis: C-O Bond Activation and Biomass Valorization

Yu Jing Nanjing Forestry University, China
14:55-15:10 Invited

Atomic-Scale Modeling of Surface Dynamics and Adsorption Kinetics of Pt-Based Alloy Nanocatalysts for ORR

Liang Cao Zhejiang University, China
15:10-15:25 Invited

Engineering of Topological Magnetic Structures and Their Dynamics at Two-Dimensional Interface

Jinbo Pan Institute of Physics CAS, China
15:25-15:40 Other

Coffee Break

2025/08/30 15:40-18:00 10-Modeling and Simulation of Nanostructures
Chair ：
Shengbai Zhang Rensselaer Polytechnic Institute, The United States 丨 Xiaojun Wu Science and Technology of China, China
15:40-16:00 Keynote

A theoretical study of Rh-modified CeO2(111) catalysts for CO2 hydrogenation

Xueqing Gong Shanghai Jiao Tong University, China
16:00-16:20 Keynote

Computational Design of Quantum Anomalous Hall Insulators

Zhuhua Zhang Nanjing University of Aeronautics and Astronautics, China
16:20-16:40 Keynote

Manipulation of Spin Polarization in Two-Dimensional Magnetic Materials: A Theoretical Investigation

Xiaojun Wu University of Science and Technology of China, China
16:40-16:55 Invited

Modular Hybrid Machine Learning and Physics-Based Potentials for Scalable Modeling of Van Der Waals Heterostructures

Wengen Ouyang Wuhan University, China
16:55-17:10 Invited

Uning the Stability and Ferroelectric Behavior of Rhombohedral Hafnium Zirconium Oxide

Lei Tao University of Chinese Academy of Sciences, China
17:10-17:25 Invited

Theoretical Study on Controllable Synthesis and Property Modulation of 2D Materials

Jichen Dong Institute of Chemistry Chinese Academy of Sciences, China
17:25-17:40 Invited

Molecular Mechanisms of Mussel-Inspired Functional Peptide Coacervates

Guijin Zou Tsinghua University, China
17:40-17:50 Oral Report

Mechanism-Driven Theoretical Modelling Enables Rational Design of Medical Catalytic Nanomaterials

Qiao zhi Li National Center for Nanoscience and Technology (NCNST), China
17:50-18:00 Oral Report

Understanding Polymer Encapsulation of Enzyme: A Dissipative Particle Dynamics Simulation Study on the Regulation of Structural Characteristics of Polymer Nanocapsule

Bin Li Jilin University, China