Postdoctoral Fellow

Research responsibilities include:

• Develop efficient numerical algorithms for density functional theory (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 new numerical formulations of DFT for electronic structure, response properties, and systems with significant electron-correlation effects.
• Develop and maintain scientific software through 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.
• 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 languages such as Python, C, C++, or Fortran.
• Strong written and oral scientific communication skills, with the ability to conduct independent research and collaborate effectively with researchers and students.
• Curriculum Vitae
• Contact information for at least three professional references

Applicants must hold a Ph.D. in physics, chemistry, materials science, applied mathematics, computational science, or a closely related field. The successful candidate should have:

Interested candidates should submit the following materials:

For further inquiries about this position, please email Dr. Jianwei Sun, at jsun@tulane.edu, and Dr. Ruiqi Zhang at [email protected].