Senior Applications Engineer, AI for Materials Science and Chemistry

Details

We are building the software infrastructure for the next era of scientific discovery. NVIDIA is developing software tools to use AI for discovering new chemicals and materials. NVIDIA ALCHEMI is a key pillar of this stack, and this role will help shape ALCHEMI and the broader software ecosystem around it.

The Senior Applications Engineer will use a background in materials science codes to accelerate AI-driven simulations for materials discovery. The role involves turning the latest research into software that scientists use for real discovery and working across research, engineering, and product teams to build software tools for materials science and chemistry that bridge traditional simulations and AI surrogates.

Responsibilities

• Collaborate with experts in computational chemistry and AI to develop tools and features in NVIDIA ALCHEMI, enabling developers and researchers to build performant atomistic simulation workflows.
• Work directly with customers or developers, guiding them on integrating materials science applications with AI surrogates using NVIDIA ALCHEMI.
• Profile applications and run benchmarks to demonstrate the product's value proposition.
• Collaborate with subject matter experts on whitepapers and research.
• Engage in and participate in workshops focused on the intersection of materials science and AI.

Requirements

• PhD or equivalent experience in computational physics, computational chemistry, computer science, or a related technical field.
• At least 8 years of experience or demonstrable expertise developing high-performance numerical methods for scientific computing or materials science applications.
• Experience running materials science simulations on large-scale HPC systems.
• Ability to work independently and as part of a globally distributed team.
• Proficiency in Fortran, C++, CUDA, Python, and common materials science tools.

Preferred Qualifications

• Outstanding knowledge of high-performance plane-wave primitive response properties and high-throughput screening.
• Experience with high-performance accelerator algorithm implementation, runtime performance optimization, floating-point emulation, and mixed-precision libraries.

Benefits

• Competitive salary.
• Equity.
• Benefits package.
• NVIDIA is committed to fostering an inclusive work environment and is an equal opportunity employer.

Applications will be accepted at least until September 19, 2026. This posting is for an existing vacancy. NVIDIA uses AI tools in its recruiting processes.