Research Scientist - Chemical Agentic AI

About the Company

The Materials Intelligence Lab innovates research in the chemical and materials fields using the latest AI technologies. By linking scientific knowledge with cutting-edge AI, we are building a platform to accelerate materials development research that traditionally requires significant time and resources. We maintain open collaboration systems with LG affiliates and leading global institutions.

Responsibilities

• Research and develop LLM-based agent systems for automating molecular and scientific discovery
• Design workflows for integrating, planning, orchestrating, and optimizing scientific tools (molecular property prediction, retrosynthesis, molecular/reaction search, scientific knowledge extraction, AutoML tooling, etc.)
• Build AutoML systems including data extraction and preprocessing from scientific literature, training/evaluating ML models for molecular property prediction, and automated fine-tuning
• Focus on key research areas: Multi-modal Learning, Large Language Models, Graph Representation Learning, AutoML, Generative Models, and Reinforcement Learning

Requirements

• Master's or PhD degree in a relevant field
• Experience in Deep Learning/Machine Learning algorithm research and development
• Relevant majors: Computer Science, Electrical Engineering, Industrial Engineering, Mechanical Engineering, Chemical Engineering, Materials Engineering, Biotechnology, Physics, Chemistry, or Biology

Preferred Qualifications

• Professional experience utilizing Deep Learning/Machine Learning
• Proficiency in Machine Learning frameworks such as PyTorch
• Experience in designing and implementing new ML/DL architectures and algorithms/methodologies