Computational Materials Discovery Engineer

Robert Bosch Group; Watertown (MA); On-site; USD 140,000 - 160,000; Full time

Job summary

Robert Bosch Group in Watertown, MA invites applications for a Research Engineer in Accelerated Materials Discovery. The role focuses on atomistic and mesoscale simulation to advance Bosch products, using DFT, molecular dynamics, AI, and machine learning in close collaboration with experimental teams.

You will work within the Computational Materials Science team, publish results, contribute to IP, and interact with partners across academia and industry.

Qualifications

• PhD in materials science, chemistry, physics, chemical engineering, mechanical engineering, biophysics or a closely related field.
• Demonstrated experience in atomistic simulation and computational materials science (DFT, MD, Monte Carlo, phase-field, multiscale) and HPC environments.
• Proficiency in programming and scientific Python ecosystem or equivalent tools.
• Documented experience applying AI/ML techniques to scientific problems (active learning, Bayesian optimization, reinforcement learning, automated workflows).

Responsibilities

• Conduct applied research in materials science at the atomistic level.
• Apply conventional atomistic methods and AI tools to derive insights on materials behavior and optimization.
• Identify, connect, and collaborate with external partners.
• Communicate results via internal presentations, reports, and peer-reviewed publications.
• Contribute to interdisciplinary research across materials science, physics, chemistry, AI, and software.
• Create AI-based framework enabling Bosch engineers to apply simulations to industrial materials.

Skills

Atomistic simulation

Python (SciPy/NumPy)

AI/ML for science

High-performance computing

Education

PhD in materials science or related field

Tools

Python

Job description

Robert Bosch Group in Watertown, MA invites applications for a Research Engineer in Accelerated Materials Discovery. The role focuses on atomistic and mesoscale simulation to advance Bosch products, using DFT, molecular dynamics, AI, and machine learning in close collaboration with experimental teams.

You will work within the Computational Materials Science team, publish results, contribute to IP, and interact with partners across academia and industry.