Post-DoctoralFellow

**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 f