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

Princeton Plasma Physics Laboratory (PPPL) is a U.S. Department of Energy National Laboratory managed by Princeton University, tackling the world’s toughest science and technology challenges using plasma, the fourth state of matter. With over 70 years of history, PPPL leads in fusion energy research and advances in microelectronics, quantum sensors and devices, and sustainability sciences.

About the role

The Computational Scientist will contribute to advancing modeling capabilities and physics research focused on low-temperature plasmas for processing two-dimensional materials and associated technologies. This role involves computational modeling of 2D material processing by low-temperature plasma for scientific discovery and engineering design, utilizing density functional theory (DFT), ab initio molecular dynamics (MD), and machine learning potentials for MD acceleration.

Responsibilities

• Apply ab initio molecular dynamics to low-temperature plasmas for processing two-dimensional materials and associated technologies (50%).
• Contribute to ongoing projects on processing two-dimensional materials based on transition metal dichalcogenides, optimizing processing techniques.
• Define and deliver AI projects for low-temperature plasmas (20%).
• Engage in proposal ideation and preparation (10%).
• Model plasma processing for industry partners (20%).
• Publish scientific results and disseminate findings at major international conferences (10%).

Requirements

• Ph.D. in Physics, Engineering, or a related field with core training in low-temperature plasma physics and high-performance computing.
• Minimum of 3 years of professional experience in an academic, scientific, or R&D environment.
• Proven track record of publishing original results in peer-reviewed scientific journals.
• Demonstrated collaborative experience within academia and with industry.

Skills

• 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 (e.g., 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.
• Ability to develop computational workflows supporting optimization of plasma processing conditions and interpretation of experimental observations.
• Advanced experience with major electronic structure, molecular dynamics, and quantum chemistry software packages (e.g., VASP, CP2K, Gaussian, Quantum ESPRESSO, LAMMPS).
• 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.
• Experience in molecular dynamics study of plasma-related materials, such as liquid lithium (and boron) interaction with H, D, and impurities.

Pay

Salary range: $111,400 to $178,000 per year.

Schedule

• Standard weekly hours: 40.00.
• Overtime: Not eligible.

Benefits

• Eligible for a comprehensive benefit program.
• Probationary period: 180 days.