Research

Domain knowledge-informed AI

We develop domain-informed AI methods for chemical engineering, molecular, process, and manufacturing systems.

01

Industrial AI & AX

Industrial data are rarely clean or complete. We develop practical AI pipelines with knowledge for robust prediction, missing-value imputation, explainable AI, and inverse design.

  • Industrial data processing, feature engineering, and uncertainty analysis
  • Explainable AI
  • Recipe & operating-condition recommendation
02

Smart Manufacturing

We build fast and reliable models for monitoring, control, and optimization. Current work includes reduced-order modeling and digital-twin pipelines for battery-electrode manufacturing, alongside broader applications.

  • Reduced-order & surrogate modeling
  • Quality monitoring & soft sensors
  • Digital twins & real-time simulation
  • AI-assisted operation & optimization
03

AI for Molecular & Materials Design

We study representations and learning architectures for catalysts, solvents, absorbents, lubricants, and composites. Our focus is on models that can explore chemical space while remaining interpretable and physically meaningful.

  • Conditioned molecular representations
  • Property prediction & inverse design
  • Interpretable machine learning & descriptor analysis
  • Hybrid neural networks
04

System Optimization

We integrate single & multiobjective optimization for economic, environmental, and operational advantages.

  • Design & operation optimization
  • Uncertainty analysis & robust optimization
05
Approach

Reliable · Accelerated · Automated

Reliable

Embed domain knowledge and physics so that models can be reliable beyond data.

Accelerated

Replace costly experiments and simulations with accurate surrogates that speed up screening and design.

Automated

Connect models with optimization to move from prediction toward autonomous engineering workflows.