Dalian University of Technology
|Project Leader, Undergraduate Research Project on MOF Property Prediction (Central University Basic Research Fund)
Dalian, Liaoning, China
Summary
Leading an awarded research project to predict multi-scale properties of metal-organic framework (MOF) materials using advanced AI and validate findings via molecular dynamics simulations.
Highlights
Designed and implemented multi-level graph attention networks to predict the multi-scale properties of metal-organic framework (MOF) materials.
Validated predicted material properties through comprehensive molecular dynamics simulations, ensuring high accuracy and reliability of results.
Developed a novel representation learning approach by extracting crystal structure features using graph attention layers and capturing long- and short-range interactions with Transformer layers.
Secured funding from the Central University Basic Research Fund, demonstrating strong proposal writing and research planning capabilities.