Benchmark and profile existing codes and workflows; identify bottlenecks and throughput limitations and establish path for improvement. Enable scaling of simulation and optimization software on HPC systems through the design and development of efficient serial and parallel algorithms. Develop and implement numerical simulation models and scientific algorithms for modeling physical processes of interest. Improve simulation performance via hardware-aware code optimization at the core, node, and system (internode) level. Develop, improve, and orchestrate complex HPC workflows that use off-the-shelf and custom modeling tools for efficient execution on HPC systems. Benchmark and profile new codes and workflows and report on improvements. Bachelor's degree in applied mathematics, computational chemistry, computer science, physics or a relevant STEM field with 5 years of relevant technical experience; Master's degree in applied mathematics, computational chemistry, computer science, physics or a relevant STEM field with 3 years of relevant technical experience OR Master's degree in applied mathematics, computational chemistry, computer science, physics or a relevant STEM field and currently enrolled in a PhD program with a completion date prior to start with 1 year of relevant technical experience; PhD in computational chemistry, applied mathematics, computer science, physics or relevant STEM field with 1 year of relevant technical experience. Experience with developing physics-based simulation and scientific software. Experience with collaborative scientific software development (e.g., Git). Ability to obtain and maintain a U.S. Government security clearance per business requirements. Principal Computational Scientist:

Bachelor's Degree in applied mathematics, computational chemistry, computer science, physics or a relevant STEM field with 8 plus years of relevant technical experience; Master's Degree in applied mathematics, computational chemistry, computer science, physics or a relevant STEM field with 6 years of relevant technical experience; PhD in applied mathematics, computational chemistry, computer science, physics or a relevant STEM field with 4 years of relevant technical experience. Experience with developing physics-based simulation and scientific software. Domain expertise in at least one scientific field (e.g., condensed matter physics, quantum chemistry, fluid dynamics, solid mechanics, or any other field where computational methods are used for predictions). Experience with collaborative scientific software development (e.g., Git). Familiarity with code optimization and HPC hardware. Proficiency in writing code in C or C++ (preferred) and Python. This position requires the applicant to be a U.S. Citizen. Ability to obtain and maintain a U.S. Government security clearance per business requirements. Principal Computational Scientist:

PhD in applied mathematics, computational chemistry, computer science, physics or a relevant STEM field. Experience with developing numerical algorithms for solving linear-algebra problems and partial differential equations. Experience with developing and implementing numerical optimization methods. Experience with running, profiling, and benchmarking scientific software on HPC systems. Experience with implementing hardware-aware code optimization techniques for HPC systems. Experience with developing parallel code (MPI, OpenMP) or GPU programming (CUDA) Experience with designing scientific software (design patterns). Experience leading small technical teams delivering HPC software. Active U.S. Government security clearance