Postdoctoral researcher in AI-driven Molecular Design

Key responsibilities

• Contribute to research projects that integrate agentic-AI, generative models, and first-principles simulations to explore complex chemical spaces
• Develop and apply ML algorithms for molecular representation, design, and optimization
• Implement high-throughput workflows for molecular property prediction and simulation
• Publish results in high-impact peer-reviewed journals and present at national/international conferences

What You Need

• Experience with AI/ML techniques applied to molecular simulation, design, or predictive modeling
• Solid understanding of relevant computational methodologies and fundamental chemistry, such as quantum mechanics, statistical mechanics
• Strong programming skills in python
• Strong computational background, including programming skills (e.g., Python, machine learning libraries)
• Demonstrated research excellence, as evidenced by publications and technical achievements
• Demonstrated ability to communicate both technically and interpersonally both orally and in writing

Education/Experience

• Ph.D. in Chemistry, Chemical Physics, Computational Chemistry, Materials Science, Computer Science, or a related field, awarded by the start date.

Desired Qualifications

• Familiarity with large language models (LLMs), generative AI, or foundation models for molecular sciences
• Experience with quantum chemistry, molecular dynamics, high-performance computing, complex workflow development
• Experience with developing or maintaining scientific software