Staff Engineer, R&D Engineering

Job Title

Staff Engineer, R&D Engineering

Role Summary

Senior engineer on the QuantumATK development team in Copenhagen focused on implementing and validating atomic-scale simulation methods and integrating them into a production software platform.

The role combines computational-physics research with software engineering to deliver maintainable, high-performance Python/C++ implementations of molecular dynamics, Monte Carlo, and machine-learned interatomic potential methods.

Experience Level

Senior (Staff-level). The posting targets candidates with substantial research or industry experience in atomic-scale simulations; no explicit years-of-experience requirement provided.

Responsibilities

Deliver and integrate new simulation methods and tooling into QuantumATK; communicate results through documentation and publications.

• Implement and validate simulation methods (molecular dynamics, Monte Carlo, ML interatomic potentials) in QuantumATK.
• Develop algorithms to extend atomistic simulations toward longer timescales and continuum-level behavior using ML/AI techniques.
• Write production-quality Python and C++ code that meets performance, correctness, and maintainability standards.
• Prepare scientific case studies, co-author peer-reviewed papers, and present technical results.
• Create tutorials, example workflows, and user documentation for new methods.
• Collaborate with physicists, chemists, and software engineers to align method development with product roadmap.
• Test, benchmark, and optimize simulation workflows for scalability and reliability across materials and use cases.

Requirements

Core technical skills and practical experience required; listed as must-have vs nice-to-have.

• Must-have: Hands-on experience running and analysing atomic-scale simulations (molecular dynamics, Monte Carlo, DFT, or related methods).
• Must-have: Strong programming skills in Python and C++ with experience producing code used by others or shipped in research/production contexts.
• Must-have: Solid grounding in condensed-matter or polymer physics/chemistry sufficient to evaluate physical validity of simulation results.
• Must-have: Excellent written and spoken English; experience producing scientific papers, documentation, or technical reports.
• Nice-to-have: Experience applying machine learning or AI techniques to materials modeling or simulation workflows.
• Nice-to-have: Familiarity with QuantumATK or similar atomic-scale simulation platforms.
• Nice-to-have: Experience optimizing performance-critical simulation code and scaling workflows.

Education Requirements

PhD in theoretical physics, computational chemistry, materials science, computer science, or a closely related field is listed as the preferred qualification; postdoctoral research or equivalent practical research experience in atomic-scale simulations is acceptable ("or equivalent research experience").

About the Company

Company: Synopsys

Headquarters: Mountain View, California, USA

Synopsys is a leading company in electronic design automation (EDA) and semiconductor IP solutions. It provides tools and services for designing and verifying complex semiconductor devices and systems. The company plays a pivotal role in the semiconductor industry, helping engineers innovate and deliver higher-quality products faster. Synopsys is committed to advancing technology standards and offers a range of software and hardware solutions to its clients globally.