We are building the software infrastructure for the next era of scientific discovery. At NVIDIA, we believe AI will transform how new chemicals and materials are discovered. We are developing the software tools to make that possible! NVIDIA ALCHEMI is a key pillar of this stack, and this role will help shape ALCHEMI and the broader software ecosystem around it. We are looking for a technical leader at the frontier of AI, simulation, and chemistry. You will turn sophisticated research into software that scientists use for real discovery. You will work across research, engineering, product, and strategic partnerships. You will help define how NVIDIA builds software for chemistry and materials science.
What you’ll be doing:
Serve as NVIDIA's technical SME, engaging with internal and external stakeholders, customers, users and product teams to design developer tools, APIs, and workflows for chemistry and materials science.
Work across organizations to shape and prioritize features for NVIDIA ALCHEMI and related software efforts.
Translate advances in ML interatomic potentials, generative modeling, and quantum chemistry into product direction.
Bring together inputs from researchers, partners, and internal teams to guide priorities.
Represent NVIDIA at leading scientific conferences, workshops, and industry events.
What we need to see:
PhD in computational chemistry, materials science, computer science, or a related field; or equivalent experience.
8+ years building AI or machine learning software for chemistry or materials applications.
Strong experience with GPU-accelerated computing and modern ML frameworks.
Deep knowledge of machine learning interatomic potentials, generative modeling, and quantum chemistry workflows.
Experience architecting scientific software, developer platforms, or technical products.
Strong communication skills across technical and non-technical audiences.
Ways to stand out from the crowd:
High-impact publications in AI for chemistry, molecular modeling, or materials discovery.
Experience with CUDA, parallel programming, or performance-focused software development.
Experience leading software or product development in a fast paced technical environment.
Contributions to open-source software for simulation, chemistry, or materials science.
We work on problems that matter, with people who care deeply about technical excellence. This role offers the chance to build a critical software stack for chemistry and materials science supported by advanced computing. You will contribute to crafting tools that support researchers, partners, and developers across the ecosystem. It is an opportunity to build technology that can accelerate discovery at global scale!
Your base salary will be determined based on your location, experience, and the pay of employees in similar positions. The base salary range is 224,000 USD - 356,500 USD.
You will also be eligible for equity and benefits ( .
Applications for this job will be accepted at least until April 17, 2026.
This posting is for an existing vacancy.
NVIDIA uses AI tools in its recruiting processes.
NVIDIA is committed to fostering a diverse work environment and proud to be an equal opportunity employer. As we highly value diversity in our current and future employees, we do not discriminate (including in our hiring and promotion practices) on the basis of race, religion, color, national origin, gender, gender expression, sexual orientation, age, marital status, veteran status, disability status or any other characteristic protected by law.
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