Opening ceremony

Turing Scheme for Materials – An Intelligent Digital Platform Powered by Ultra-Large-Scale Exp + Comput Data

Full-Path Exploration Method for Phase Transitions

Discovery of new intermetallic catalysts for the hydrogen evolution reaction through machine learning and experimental validation

Ultrafast synthesis and artificial intelligence

AI for Organic Chemistry

Machine Learning Studies on the Electronic Structures of Photocatalytic Materials

MatPilot: an LLM-enabled AI Materials Scientist under the Framework of Human-Machine Collaboration

Mechanistic study of catalysts in confined spaces

Universal AI Model for Electronic Structure Prediction

Quantum state-resolved reaction dynamics for complex reactions based on fundamental invariant-neural network potential energy surfaces

Polymer Large Language Models

Nanoparticle plasmonics in the 1 - 10 nm ultrafine regime

Exploring of Organic Polymer Functional Materials by Machine Learning based on "Polymer Unit"

Intelligent Design of Sustainable Ductile Iron and Its Casting Process Based on Deep Active Learning

Theoretical Study of Supported Gold Catalysts Based on Machine Learning Potential

Artificial Intelligence Assisted Optimization of Polymer Dynamics

A New Paradigm in AI-Driven Materials Science: From Universal Atomistic Simulation to Inverse Generative Design

Performance Prediction of Metal Nitride Energetic Materials Based on Structural Searching and Machine Learning

Paimon: An Autonomous AI Agent System for Atomistic Simulations