NVIDIA is seeking an architect with extensive experience in molecular dynamics to advance scaling laws in physical, chemical, and biological sciences. The role involves collaboration with software developers, research scientists, and users to create widely applicable primitives for molecular dynamics engines. Candidates should be driven and eager to make a significant impact. The position emphasizes the development of functional forms for forcefields and the integration of libraries with various workflows.

• A Master’s or Ph.D. in Computer Science, Chemistry, Physics, or a related field or equivalent experience.
• 12+ years of experience in methods development in molecular dynamics, forcefield parameterization, and/or free energy methods.
• Proficiency in Python, C++, and/or CUDA, ideally in a setting with established best practices such as code reviews and unit testing.
• A deep understanding of trade-offs between practicality, generalizability, and performance of solutions.

• Develop and deploy functional forms for modern forcefields, including implicit and explicit solvent models.
• Prototype and implement enhanced sampling methods such as Gibbs sampling and umbrella sampling.
• Integrate libraries with various free energy, molecular dynamics, and forcefield fitting workflows.
• Collaborate with the CUDA-X library team to build GPU-friendly algorithms for molecular dynamics.

• Employees at NVIDIA are often offered comprehensive, day-one benefits—including medical, dental, and vision coverage with HSA support, life and disability insurance, an Employee Assistance Program, and a 401(k) with auto-enrollment. Many roles also have generous time off and holidays, donation matching (up to $10,000), and a wide menu of extras like FSAs, commuter benefits, legal and identity-theft protection, pet insurance, and wellness discounts. Optional programs can include student-loan and home-purchase support, plus family care resources and expert medical services.