Computational Research Associate in Quantum Chemistry Modeling for Low Temperature Plasma Applications in Princeton, New Jersey at Princeton University

The Princeton Plasma Physics Laboratory (PPPL) seeks to fill a post-doctoral research physicist position to perform computational chemistry simulations.

The successful candidate will investigate the mechanisms of nanostructure growth and thin film etching. Candidate will investigate mechanisms of diamond growth and impurity incorporations into diamond structure. Another project that candidate will be involved in is “Highly selective etching by remote and direct plasma”, where a selective atomic layer etching (ALE) of Si-based materials, such as silicon and silicon-nitride will be studied.

The candidate should be proficient with quantum chemistry methods, including one-configuration methods based on the DFT (density functional theory) and MP2 (Moller-Plesset perturbation theory) approaches, and multi-configurations methods, such as multi-configuration self-consistent (MCSCF) approach. Quantum chemistry methods and the transition state theory will be used for the rate constant calculations. The latter methods will be used in kinetic modelling of the film growth as well as modeling of etching processes. Comprehensive experience in molecular dynamics modelling (ab-initio and classical) of the physics and chemistry of film growth and ALE processes and proven record of collaboration with experimentalists and impact on an experimental program is necessary requirement. Previous experience in working in industry is welcome.

A proud U.S. Department of Energy National Laboratory managed by Princeton University, Princeton Plasma Physics Laboratory (PPPL) is a longstanding leader in the science and innovation behind the development of fusion energy — a clean, safe, and virtually limitless energy source. With an eye on the future and in response to national priorities, PPPL also has begun a strategic shift from a singular focus on fusion energy to a multi-focus approach that includes microelectronics, quantum information science, and sustainability science. Whether it be through science, engineering, technology or professional services, every team member has an opportunity to make their mark on our world. PPPL aims to attract and support people with a rich variety of backgrounds, interests, experiences, and cultural viewpoints. We are committed to equity, diversity, inclusion and accessibility and believe that each member of our team contributes to our scientific mission in their own unique way. Come join us!

• Diamond growth - 40%
• ALE processes - 40%
• Developing guidance for experimental programs - 20%

Education and Experience:

• Ph.D. in computational chemistry and/or computational material synthesis, formal education in quantum chemistry.

Knowledge, Skills and Abilities:

• Quantum chemistry calculations using one- and multi-configuration methods, transition-state theory, kinetic modelling of nanostructure growth and etching, knowledge of mechanisms of diamond growth and etching of silicon and silicon-nitride materials, experience in collaboration with experimentalists in the field of nanofabrication, working knowledges of at least two of the quantum chemistry codes for molecular dynamics simulations of clusters (Gaussian, GAMESS) and solids (VASP, Crystal).

Certificates and Licenses:

• Formal education in quantum chemistry.

Princeton University is an Equal Opportunity/Affirmative Action Employer and all qualified applicants will receive consideration for employment without regard to age, race, color, religion, sex, sexual orientation, gender identity or expression, national origin, disability status, protected veteran status, or any other characteristic protected by law. KNOW YOUR RIGHTS

Please be aware that the Department of Energy (DOE) prohibits DOE employees and contractors from participation in certain foreign government talent recruitment programs. All PPPL employees are required to disclose any participation in a foreign government talent recruitment program and may be required to withdraw from such programs to remain employed under the DOE Contract.