Open Position: Postdoctoral Associate

Description:

Prof. Curtarolo's group at the Center for Extreme Materials at Duke University, USA, is seeking to fill open postdoctoral positions in computational materials design. The group is at the forefront of developing computational methods for discovering materials with technological applications. More information about the research can be found at https://aflow.org and https://materials.duke.edu/research.html.

Research Focus

one or more of the following topics:

  • Ultra-high-temperature plasmonic materials for energy applications.

  • Discovery/optimization/design of high-entropy ceramics and other disordered systems.

  • Theoretical support for autonomous research infrastructure. For example: i. developing the logic and thermodynamic constraints required for self-driving laboratory workflows; ii. advancement of CALPHAD methodologies for complex material systems; iii. development and assessment of high-fidelity thermodynamic databases; and iv. modeling of phase stability in multi-component systems to guide experimental design.

  • Automated integration of experimental results into computational workflows, like i. creation of algorithms for the automated ingestion, validation, and assimilation of experimental data (e.g., XRD, thermal analysis) into theoretical models; and ii. bridging the gap between physical characterization and computational prediction through data-driven feedback loops.

This is a valuable opportunity to work with an active, multidisciplinary research group. The appointment will be for one-year, renewable pending funding and successful performance.

Note: This is an onsite role located at Duke Campus, Durham, NC (no remote work).

Required Qualifications

  • Deep understanding of linear algebra, calculus, thermodynamics and kinetics of materials, solid-state physics, crystallography/group-theory, and inorganic chemistry.

  • Solid scientific communication skills, both verbal and written.

  • Strong programming skills in C++, LaTeX, knowledge of Unix systems, and experience using materials data repositories such as AFLOW.

  • Proven experience in ab-initio modeling (e.g., VASP, Quantum Espresso, FHI-AIMS).

Based on the research topics the following skills could be mandatory or preferred:

  • Expertise in CALPHAD (Calculation of Phase Diagrams) methods and thermodynamic database assessment.

  • Experience with workflow automation, AI, and the programmatic handling of experimental datasets.

  • Experience in thermodynamic modeling software (e.g., OpenCalphad, PyCalphad, Thermo-Calc).

  • Experience in additive manufacturing, robotics and micro-controller programming; e.g., Verilog, ESP32, etc.

How to apply

Potential candidates should send one PDF file named "PDOC-2026_Lastname_Firstname.pdf" containing: cover letter, curriculum vitae and the names, emails, and phone numbers of three (or more) references to jobs@materials.duke.edu, subject line "PDOC-2026: Lastname Firstname". Only PDF material will be considered.

This job description intends to provide a representative and level of the types of duties and responsibilities that will be required of positions given this title and shall not be construed as a declaration of the total of the specific duties and responsibilities of any particular position. Employees may be directed to perform job-related tasks other than those specifically presented in this description. Duke University is an Equal Opportunity Employer.