Research Scientist/Engineer

About the role

KBR’s National Security Solutions team provides high-end engineering and advanced technology solutions to customers in the intelligence and national security communities. In this position, your work will have a profound impact on protecting national security. Innovative Projects: KBR’s work is at the forefront of engineering, logistics, operations, science, program management, mission IT and cybersecurity solutions. Collaborative Environment: Be part of a dynamic team that thrives on collaboration and innovation, fostering a supportive and intellectually stimulating workplace. Impactful Work: Your contributions will be pivotal in designing and optimizing defense systems that ensure national security and shape the future of space defense. Location: On site. Travel Requirements: 20% minimal travel. Belong, Connect and Grow here We are passionate about our people and our Zero Harm culture. These inform all that we do and are at the heart of our commitment to, and ongoing journey toward being a People First company. That commitment is central to our team’s philosophy and fosters an environment where everyone can Belong, Connect and Grow. We Deliver – Together.

Job Summary

We are seeking a highly motivated Research Scientist/Engineer to support the Air Force Research Laboratory's RF Sensing Dominance Division, Electronic Devices Branch (RFDD) in conducting first-principles modeling using Density Functional Theory (DFT) to predict, understand, and interpret the properties of wide bandgap semiconductors and semiconductor interfaces. This role focuses on computational materials science, with emphasis on the electronic and structural behavior of point defects, dopants, impurities, surface defects, and interfaces. The candidate will use advanced DFT tools such as VASP and Quantum ESPRESSO on high-performance computing (HPC) platforms to support cutting-edge semiconductor research and development. This position offers an excellent opportunity for a recent M.S. or Ph.D. graduate looking to apply computational methods to real-world materials challenges. The ideal candidate is a curious and detail-oriented researcher who enjoys solving complex materials science problems through advanced computational methods. Recent M.S. and Ph.D. graduates are encouraged to apply. Candidates should be comfortable working independently while collaborating effectively in a research-focused environment.

Responsibilities

• Perform first-principles simulations using DFT to investigate the properties of wide bandgap semiconductor materials and interfaces.
• Develop/execute computational studies focused on: Point defects, Dopants and impurities, Surface defects, Semiconductor interfaces, Phonons, and lattice dynamics
• Prepare, submit, and monitor large-scale DFT calculations on HPC clusters.
• Analyze and interpret simulation results, extracting meaningful physical insights from computational data.
• Process and visualize DFT output data for technical reports, presentations, and publications.
• Contribute to the development and implementation of automated workflows for high-throughput DFT calculations.
• Participate in the development of Machine-Learned Interatomic