Senior AI Materials Discovery Engineer (HPC) - Equity

NVIDIA; New York (NY); On-site; USD 168,000 - 322,000; Full time

Benefits offered by this job

Equity

Benefits package

Job summary

NVIDIA is seeking a senior application engineer to accelerate AI-driven materials discovery within the ALCHEMI software stack. You will turn cutting-edge research into practical software for scientists, working across research, engineering, and product teams to bridge traditional simulations with AI surrogates.

You will engage with customers and developers to ensure seamless integration, profile performance, and contribute to whitepapers and workshops in the field.

Qualifications

• PhD or equivalent experience in computational physics, computational chemistry, computer science, or related technical fields.
• 8+ years of experience or demonstrable expertise in developing high performance numerical methods for scientific computing or material science applications.
• Experience in running material 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 Material Science tools.

Responsibilities

• Collaborate with computational chemistry and AI teams to develop new tools and features in NVIDIA ALCHEMI.
• Guide customers/developers on integrating material science apps with AI surrogates using NVIDIA ALCHEMI.
• Profile the application and run benchmarks to demonstrate value.
• Collaborate with subject matter experts on whitepapers and research.
• Participate in workshops at the intersection of material science and AI.

Skills

Fortran

C++

CUDA

Python

Materials tools

Education

PhD or equivalent

Tools

Material Science tools

Job description

NVIDIA is seeking a senior application engineer to accelerate AI-driven materials discovery within the ALCHEMI software stack. You will turn cutting-edge research into practical software for scientists, working across research, engineering, and product teams to bridge traditional simulations with AI surrogates.

You will engage with customers and developers to ensure seamless integration, profile performance, and contribute to whitepapers and workshops in the field.