Post-Doctoral Fellow

JOB TITLE

Post-Doctoral Fellow

LOCATION

Worcester

DEPARTMENT NAME

Mechanical & Materials Engineering - NFR JM

DIVISION NAME

Worcester Polytechnic Institute - WPI

JOB DESCRIPTION SUMMARY

The Integrated Materials and Processes Design (IMPD) group at Worcester Polytechnic Institute (WPI) invites applications for a Postdoctoral Fellow position in computational materials science with a focus on advanced density functional theory (DFT), machine learning, and multiscale materials modeling for alloys and ceramics. The successful candidate will conduct cutting-edge research involving first-principles calculations mainly using VASP and related computational tools to investigate elevated-temperature phase stability, thermodynamic and mechanical properties, defect chemistry, diffusion behavior, and electrical/functional properties of structural and energy materials. The position also involves the integration of machine learning and AI-assisted approaches into materials modeling workflows. The postdoctoral researcher is expected to work independently, develop computational workflows and machine-learning models, contribute to proposal and manuscript preparation, and collaborate with graduate students and external research partners.

Potential research topics include:

• Elevated-temperature phase stability of alloys and ceramics
• Thermodynamic and kinetic modeling integrated with DFT
• Mechanical property prediction at finite temperature
• Defect chemistry and point defect energetics
• Diffusion and transport properties
• Electrical and functional property prediction
• High-entropy materials and complex concentrated alloys
• Oxides and energy materials
• AI-assisted and machine learning-enhanced materials simulations
• Development of automated computational workflows

JOB DESCRIPTION

Responsibilities:

The postdoctoral fellow will:

• Perform advanced first-principles calculations primarily using VASP
• Conduct atomistic modeling of alloys, ceramics, and functional materials
• Develop computational workflows for high-throughput simulations
• Integrate machine learning methods with DFT-generated datasets
• Develop and maintain scientific codes/scripts in Python or related languages
• Analyze and interpret large-scale computational datasets
• Publish research results in high-impact peer-reviewed journals
• Assist in proposal preparation and collaborative research activities
• Mentor graduate and undergraduate students as needed

Required Qualifications:

Applicants must have:

• Ph.D. in Materials Science and Engineering, Physics, Chemistry, Mechanical Engineering, or a related field
• Strong expertise in density functional theory (DFT)
• Hands-on experience with VASP
• Experience with Linux/HPC environments and parallel computing
• Strong programming skills in Python or related scientific programming languages
• Experience in scientific data analysis and workflow automation
• Strong written and verbal communication skills

Preferred Qualifications:

Preference will be given to candidates with experience in one or more of the following areas:

• Finite-temperature property calculations
• CALPHAD or thermodynamic modeling
• Defect calculations and diffusion modeling
• Mechanical property calculations from first principles
• Machine learning for materials science
• Development of AI/ML workflows and surrogate models
• High-throughput DFT calculations
• Experience with ML interatomic potentials
• Experience with materials databases and automated workflow frameworks
• Experience with alloys, ceramics, oxides, or energy materials

Appointment Details:

Initial appointment is one year, renewable based on performance and funding availability.

Expected start date: July, 2026

Compensation:

$45,000 - $70,000 per year. Salary is based on related experience, expertise, and internal equity. WPI's benefits package includes a robust retirement match, wellness perks, tuition assistance and more!

To Apply:

Applicants should submit:

• Curriculum Vitae
• Brief research statement describing relevant experience and interests
• Contact information for 2-3 references
• Representative publications (optional)

For inquiries contact Prof. Yu Zhong, yzhong@wpi.edu, Department of Mechanical and Materials Engineering

Applications will be reviewed on a rolling basis until the position is filled.

FLSA STATUS

United States of America (Exempt)

WPI is an Equal Opportunity Employer. All qualified candidates will receive consideration for employment without regard to race, color, age, religion, sex, sexual orientation, gender identity, national origin, veteran status, or disability. It seeks individuals from all backgrounds and experiences who will contribute to a culture of creativity, collaboration, inclusion, problem solving, innovation, high performance, and change making. It is committed to maintaining a campus environment free of harassment and discrimination.