Postdoctoral Scholar: AI-Driven Materials Simulations

Penn State University; University Park (TX); On-site; USD 55,000 - 75,000; Part time

Job summary

Penn State University in University Park invites applications for a Postdoctoral Scholar to advance reactive molecular dynamics and AI-driven growth control. The role involves performing ReaxFF MD simulations, linking results to data science, and conducting quantum chemical studies of growth mechanisms.

Applicants should have a PhD in Materials Science or related field and strong experience with ReaxFF, AI methods, ML potentials, and quantum chemistry.

Qualifications

• PhD in Materials Science or a related field by the start date.
• Expertise with ReaxFF force field development.
• Expertise with AI methods.
• Excellent communication skills.
• Expertise with Machine Learning Potentials.
• Expertise with quantum chemical methods.

Responsibilities

• Perform and analyze ReaxFF reactive molecular dynamics (MD) simulations on material growth
• Connect the results from these simulations to data science methods
• Perform Quantum Chemical simulations, including ab initio MD on material growth related reaction mechanisms
• Assist in integrating ReaxFF simulations into a AI-driven scheme for controlling autonomous growth

Skills

ReaxFF

AI methods

Machine Learning Potentials

Quantum chemical methods

Communication skills

Publication record

Education

PhD in Materials Science or related field

Job description

Penn State University in University Park invites applications for a Postdoctoral Scholar to advance reactive molecular dynamics and AI-driven growth control. The role involves performing ReaxFF MD simulations, linking results to data science, and conducting quantum chemical studies of growth mechanisms.

Applicants should have a PhD in Materials Science or related field and strong experience with ReaxFF, AI methods, ML potentials, and quantum chemistry.