Postdoctoral Fellow

Tulane • New Orleans, LA

10h

About The Position

The Postdoctoral Fellow will conduct computational research in density functional theory (DFT), electronic-structure methods, and computational materials physics. The role involves developing efficient and scalable numerical methods, applying computational techniques to complex materials and transition-metal compounds, and investigating connections between atomic structure, electronic structure, and material properties. The fellow will also develop and validate density-functional approximations and numerical formulations, and contribute to scientific software and research dissemination. The position includes collaboration with Tulane faculty, postdoctoral researchers, students, and researchers at other institutions, as well as assisting with student mentoring and participating in group meetings and seminars.

Applicants must hold a Ph.D. in physics, chemistry, materials science, applied mathematics, computational science, or a closely related field. Interested candidates should submit a curriculum vitae and contact information for at least three professional references. For inquiries, contact Dr. Jianwei Sun or Dr. Ruiqi Zhang.

Requirements

• Ph.D. in physics, chemistry, materials science, applied mathematics, computational science, or a closely related field.
• Experience with DFT, time-dependent DFT, electronic-structure theory, many-electron methods, or computational materials physics.
• Experience developing or implementing numerical algorithms in scientific software, including parallel scientific computing.
• Knowledge of electronic-structure packages such as VASP, Quantum ESPRESSO, PWDFT, PySCF, or related programs.
• Programming experience in one or more of Python, C, C++, or Fortran.
• Strong written and oral scientific communication skills.
• Ability to conduct independent research and collaborate effectively with researchers and students.
• Curriculum vitae.
• Contact information for at least three professional references.

Responsibilities

• Develop efficient numerical algorithms for DFT and related electronic-structure calculations.
• Improve the efficiency and scalability of electron-phonon calculations using methods such as interpolative separable density fitting and iterative eigensolvers.
• Apply DFT and density functional perturbation theory to complex materials and transition-metal compounds.
• Use computational modeling and data analysis to study relationships among atomic structure, electronic structure, and material properties.
• Develop and validate nonempirical density-functional approximations and explore numerical formulations of DFT for electronic structure, response properties, and systems with significant electron-correlation effects.
• Develop and maintain scientific software, including algorithm implementation, testing, validation, documentation, and performance optimization.
• Compare computational predictions with reference data, established theory, and available experimental results.
• Prepare peer-reviewed publications and present research at scientific meetings.
• Collaborate with faculty, postdoctoral researchers, and students at Tulane and other academic institutions.
• Assist with student mentoring and participate in group meetings and seminars.

What This Job Offers

• Job Type: Full-time
• Career Level: Entry Level
• Education Level: Ph.D. or professional degree