Postdoc: AI-Driven Reactive MD for Materials

Penn State University; Northern (KY); Hybrid; USD 55,000 - 70,000; Full time

Job summary

Penn State University is seeking a talented Postdoctoral Scholar in the Department of Mechanical Engineering to advance research on material growth using ReaxFF reactive MD and quantum chemical methods. The role involves connecting simulation results with data science approaches and contributing to AI-driven autonomous growth controls.

The candidate should hold a PhD in Materials Science or a related field, with strong expertise in ReaxFF, AI, ML potentials, and quantum chemistry, and possess

Qualifications

• PhD required in materials science or related field.
• Expertise with ReaxFF force field development.
• Expertise with AI methods and machine learning potentials.
• Experience with quantum chemical methods and ab initio MD is desired.
• Excellent communication skills for collaborating across groups.

Responsibilities

• Perform and analyze ReaxFF reactive MD simulations on material growth.
• Connect results to data science methods.
• Perform quantum chemical simulations including ab initio MD.
• Assist in integrating ReaxFF simulations into an AI-driven scheme for autonomous growth control.

Skills

ReaxFF expertise

AI methods

Machine Learning Potentials

Quantum chemical methods

Communication skills

Education

PhD in Materials Science or related field

Job description

Penn State University is seeking a talented Postdoctoral Scholar in the Department of Mechanical Engineering to advance research on material growth using ReaxFF reactive MD and quantum chemical methods. The role involves connecting simulation results with data science approaches and contributing to AI-driven autonomous growth controls.

The candidate should hold a PhD in Materials Science or a related field, with strong expertise in ReaxFF, AI, ML potentials, and quantum chemistry, and possess