Computational Research Scientist (Two-Dimensional Materials and Low-Pressure Processing Plasma)

Fusion Energy Base; Princeton (NJ); On-site; USD 111,000 - 178,000; Full time

Job summary

Princeton Plasma Physics Laboratory (PPPL) is seeking a Computational Scientist to advance modeling and physics research on low-temperature plasmas for processing 2D materials. The role emphasizes DFT/ab initio MD, ML potentials, and connecting simulations to experimental materials properties.

The candidate should publish results, collaborate across academia and industry, and contribute to proposal ideation and new computational capabilities.

Qualifications

• Ph.D. in Physics, Engineering or a related field with core training in low-temperature plasma physics and high-performance computing.
• Minimum 3 years of professional experience in an academic, scientific, or R&D environment.
• A proven track record of publishing original results in peer-reviewed scientific journals.
• Demonstrated collaborative experience within academia and with industry.
• Knowledge, Skills, and Abilities: Extensive practical experience using first-principles methods to study materials relevant to microelectronics, quantum devices, and plasma assisted processing, including ab initio molecular dynamics and classical molecular dynamics simulations.
• Strong ability to connect atomistic simulation results to experimentally relevant materials properties and processing outcomes, including defect formation, surface functionalization, selective etching, plasma‑induced damage, optoelectronic properties, surface cleaning, and modification of 2D materials.
• Practical knowledge of low-temperature plasma processing of materials, including plasma-assisted etching, ion/surface interactions, fluorination, oxygen and hydrogen surface chemistry, plasma activated desorption, and highly selective or self-limiting processes relevant to nanofabrication of microelectronics and quantum-device materials.
• Ability to develop computational workflows that support optimization of plasma processing conditions and interpretation of experimental observations.
• Advanced experience with major electronic structure, molecular dynamics, and quantum chemistry software packages, including VASP, CP2K, Gaussian, Quantum ESPRESSO, LAMMPS, and related atomistic modeling tools.
• Strong record of scientific publication and conference presentation in electronic structure calculations, 2D materials, defects, and plasma‑assisted processing of 2D materials.
• Ability to communicate complex computational results clearly to scientific, engineering, experimental, academic, and industrial audiences.
• Demonstrated ability to work collaboratively in multidisciplinary research environments involving theory, computation, experiment, and industry‑relevant materials processing applications.
• Ability to contribute to proposal ideation, preparation of research plans, development of new computational capabilities, and dissemination of results through peer‑reviewed publications, talks, and major international conferences.
• Experience in Molecular Dynamics Study of Plasma related materials like Liquid Lithium (and Boron) Interaction with H, D, and Impurities.

Responsibilities

• Application of ab initio molecular dynamics to low-temperature plasmas for processing of two-dimensional materials and associated technologies. The capabilities will be deployed for optimization of processing techniques of these materials.
• Defining and delivering on A.I. projects for low-temperature plasmas (20%).
• Proposal ideation and preparation (10%).
• Modeling plasma processing for industry partners (20%).
• Publishing scientific results and dissemination at major international conferences (10%).

Skills

DFT modeling

MD simulations

2D materials

ab initio MD

machine learning potentials

VASP

CP2K

Gaussian

Quantum ESPRESSO

LAMMPS

communication

collaboration

Education

PhD in Physics, Engineering or related field

Tools

VASP

CP2K

Gaussian

Quantum ESPRESSO

LAMMPS

Job description

Computational Research Scientist (Two-Dimensional Materials and Low-Pressure Processing Plasma)

2026-22118 2 days ago(8/12/2026 8:59 AM) Department PPPL Appl Mat & Sustainblty Sc Research and Laboratory Full-Time

Overview

The Princeton Plasma Physics Laboratory (PPPL) is seeking to appoint a Computational Scientist to contribute to the advancement of modeling capabilities and physics research pertaining to using low-temperature plasmas for processing of two-dimensional materials and associated technologies. The primary responsibility of this position involves conducting and facilitating computational modeling of processing of 2D materials by low-temperature plasma for the purposes of scientific discovery and engineering design of these processes. The successful candidate will achieve this objective through the application of density functional theory (DFT) modeling of these processes using ab initio molecular dynamics (MD), and the utilization of machine learning potentials for MD acceleration. The candidate should have strong practical familiarity with MD simulations and band gap structure calculations of 2D material properties and connection to experimental measurements. Furthermore, the candidate should demonstrate substantial practical knowledge of 2D material properties and techniques employed in plasma processing, coupled with a proven track record of modeling of such discharges. The results will be disseminated to the broader academic and industrial communities, necessitating strong interpersonal and communication skills to cultivate these relationships. Finally, this role will encompass the conceptualization and preparation of novel proposal ideas to secure funding for future research projects.

A U.S. Department of Energy National Laboratory managed by Princeton University, the Princeton Plasma Physics Laboratory (PPPL) is tackling the world’s toughest science and technology challenges using plasma, the fourth state of matter. With more than 70 years of history, PPPL is a leader in the science and engineering behind the development of fusion energy, a potentially limitless energy source. PPPL is also using its expertise to advance research in the areas of microelectronics, quantum sensors and devices, and sustainability sciences. Whether it be through science, engineering, technology or professional services, every team member has an opportunity to contribute to our mission and vision.

Responsibilities

• Application of ab initio molecular dynamics to low-temperature plasmas for processing of two-dimensional materials and associated technologies. The capabilities will be deployed for optimization of processing techniques of these materials.
• Defining and delivering on A.I. projects for low-temperature plasmas (20%).
• Proposal ideation and preparation (10%).
• Modeling plasma processing for industry partners (20%).
• Publishing scientific results and dissemination at major international conferences (10%).

Qualifications

• Ph.D. in Physics, Engineering or a related field with core training in low-temperature plasma physics and high-performance computing.
• Minimum 3 years of professional experience in an academic, scientific, or R&D environment.
• A proven track record of publishing original results in peer-reviewed scientific journals.
• Demonstrated collaborative experience within academia and with industry.
• Knowledge, Skills, and Abilities: Extensive practical experience using first-principles methods to study materials relevant to microelectronics, quantum devices, and plasma assisted processing, including ab initio molecular dynamics and classical molecular dynamics simulations.
• Strong ability to connect atomistic simulation results to experimentally relevant materials properties and processing outcomes, including defect formation, surface functionalization, selective etching, plasma‑induced damage, optoelectronic properties, surface cleaning, and modification of 2D materials.
• Practical knowledge of low-temperature plasma processing of materials, including plasma-assisted etching, ion/surface interactions, fluorination, oxygen and hydrogen surface chemistry, plasma activated desorption, and highly selective or self-limiting processes relevant to nanofabrication of microelectronics and quantum-device materials.
• Ability to develop computational workflows that support optimization of plasma processing conditions and interpretation of experimental observations.
• Advanced experience with major electronic structure, molecular dynamics, and quantum chemistry software packages, including VASP, CP2K, Gaussian, Quantum ESPRESSO, LAMMPS, and related atomistic modeling tools.
• Strong record of scientific publication and conference presentation in electronic structure calculations, 2D materials, defects, and plasma‑assisted processing of 2D materials.
• Ability to communicate complex computational results clearly to scientific, engineering, experimental, academic, and industrial audiences.
• Demonstrated ability to work collaboratively in multidisciplinary research environments involving theory, computation, experiment, and industry‑relevant materials processing applications.
• Ability to contribute to proposal ideation, preparation of research plans, development of new computational capabilities, and dissemination of results through peer‑reviewed publications, talks, and major international conferences.
• Experience in Molecular Dynamics Study of Plasma related materials like Liquid Lithium (and Boron) Interaction with H, D, and Impurities.

Princeton University is an Equal Opportunity 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.

The University considers factors such as (but not limited to) scope and responsibilities of the position, candidate's qualifications, work experience, education/training, key skills, market, collective bargaining agreements as applicable, and organizational considerations when extending an offer. The posted salary range represents the University's good faith and reasonable estimate for a full‑time position; salaries for part‑time positions are pro‑rated accordingly. If the salary range on the posted position shows an hourly rate, this is the baseline; the actual hourly rate may be higher, depending on the position and factors listed above. The University also offers a comprehensive benefit program to eligible employees. Please see this link for more information.

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 Salary Range $111,400 to $178,000

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.

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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