Computational Materials Scientist—DFT & HPC (Onsite)

Trinzic; Beavercreek Township (OH); On-site; USD 110,000 - 170,000; Full time

Benefits offered by this job

401(k) plan with company match

Medical, dental, vision insurance

Paid time off

Flexible work schedule

Job summary

KBR, a leader in defense and technology solutions, seeks a Research Scientist/Engineer to conduct first-principles DFT studies of wide bandgap semiconductors and interfaces for the Air Force Research Laboratory. You will work with VASP and Quantum ESPRESSO on HPC platforms, building automated workflows and exploring MLIPs for materials modeling.

The role targets recent MS/PhD graduates and offers on-site work with travel, collaboration across multidisciplinary teams, and contributions to

Qualifications

• MS or PhD in Materials Science, Physics, Electrical Engineering, Chemistry, Computational Science, or a related field
• Experience with Density Functional Theory (DFT) and computing tools
• Familiarity with VASP and Quantum ESPRESSO; Unix environments; HPC systems; strong publication record

Responsibilities

• Perform first-principles simulations using DFT to study wide bandgap semiconductors and interfaces
• Develop computational studies on point defects, dopants, impurities, surface defects and interfaces
• Prepare and monitor large-scale DFT calculations on HPC clusters
• Analyze, visualize and report simulation results; contribute to automated workflows and MLIPs

Skills

DFT experience

Unix proficiency

Scientific writing

Education

MS/PhD in Materials Science/Physics/Engineering/Computational Science

Tools

VASP

Quantum ESPRESSO

MATLAB

Job description

KBR, a leader in defense and technology solutions, seeks a Research Scientist/Engineer to conduct first-principles DFT studies of wide bandgap semiconductors and interfaces for the Air Force Research Laboratory. You will work with VASP and Quantum ESPRESSO on HPC platforms, building automated workflows and exploring MLIPs for materials modeling.

The role targets recent MS/PhD graduates and offers on-site work with travel, collaboration across multidisciplinary teams, and contributions to