Staff Engineer, Quantum Simulation Platform (AI/ML)

Synopsys, Inc.; København; On-site; DKK 900,000 - 1,200,000; Full time

Job summary

Synopsys, Inc. in Copenhagen seeks a PhD-level scientist/software engineer to advance QuantumATK by building platform capabilities, intuitive interfaces, and AI-driven workflows for atomic-scale simulations.

The role combines research with production software engineering, focusing on reliable, scalable tools used by researchers and engineers across semiconductor and materials industries. Collaboration with domain experts is essential.

Qualifications

• PhD in theoretical physics, computational chemistry, materials science, computer science, engineering, or equivalent experience.
• Strong practical experience with atomic-scale simulation methods such as molecular dynamics, Monte Carlo, electronic structure methods, machine‑learned potentials, or related approaches.
• Strong software development skills in Python including experience developing software that is used by others.
• Experience designing, maintaining, or contributing to larger software systems rather than only standalone research code
• Excellent communication skills and experience writing technical documentation, tutorials, scientific reports, or publications
• Interest in AI, automation, agentic systems, or intelligent user experiences
• Experience developing graphical user interfaces for scientific or engineering applications and familiarity with QuantumATK is a plus.

Responsibilities

• Design and develop platform capabilities that improve how users interact with QuantumATK
• Build and maintain production-quality software in Python with a focus on reliability, usability, maintainability, and performance
• Develop graphical user interface components and workflows that make advanced simulation capabilities easier to discover and use
• Create AI-powered and agent-based workflows that help automate simulation setup, execution, analysis, and interpretation
• Integrate modern AI technologies, including large language models and intelligent assistants, into scientific software products
• Collaborate with domain experts to translate scientific requirements into scalable software solutions
• Improve workflow orchestration, automation, and interoperability across simulation tools and data sources
• Contribute to architecture discussions and technical roadmaps for the QuantumATK platform

Skills

Python development

GUI development

Software design

Documentation

AI / ML interest

Team collaboration

Education

PhD in theoretical physics, computational chemistry, materials science, CS, or engineering

Job description

Synopsys, Inc. in Copenhagen seeks a PhD-level scientist/software engineer to advance QuantumATK by building platform capabilities, intuitive interfaces, and AI-driven workflows for atomic-scale simulations.

The role combines research with production software engineering, focusing on reliable, scalable tools used by researchers and engineers across semiconductor and materials industries. Collaboration with domain experts is essential.