Computational Research Associate in Quantum Chemistry Modeling for Low Temperature Plasma Applications

Requisition # 2025-20375
Date Posted 5 days ago(1/15/2025 1:29 PM)
Department
PPPL Computational Science
Category
Research and Laboratory
Job Type
Full-Time

Overview

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!

Responsibilities

Core Duties: 

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

Qualifications

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.

Standard Weekly Hours

40.00

Eligible for Overtime

No

Benefits Eligible

Yes

Probationary Period

180 days

Essential Services Personnel (see policy for detail)

No

Physical Capacity Exam Required

No

Valid Driver's License Required

No

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If you are a qualified individual with a disability and are, therefore, unable or limited in your ability to use or access this system, you can request a reasonable accommodation by contacting PPPL's Office of Human Resources at Onboarding@pppl.gov.

Princeton University-Princeton Plasma Physics Laboratory (PPPL) 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. EEO IS THE LAW

Princeton University-PPPL job offers are contingent upon the candidate’s successful completion of a background check, reference checks, and pre-employment screening, as applicable.

PPPL is a U.S. Department of Energy (DOE) national laboratory managed by Princeton University. The 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.

Princeton University-PPPL is a residential community and an employer that operates continuously 24 hours a day. Essential services employees perform jobs that are necessary and required to maintain basic University operations during scheduled closures or unscheduled suspension of normal operations due to emergencies, events, or other situations. Essential services employees may be asked and/or required to perform jobs or duties that fall outside of their normal job classification during an emergency event. Learn more about our Essential Services policy.

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