Senior AI Engineer for Materials Discovery & Chemistry

NVIDIA Corporation; Santa Clara (CA); On-site; USD 168,000 - 322,000; Full time

Job summary

NVIDIA is seeking a senior application engineer to accelerate AI-driven simulations for materials discovery within the ALCHEMI stack. You will translate cutting-edge research into software used by scientists for real discovery, collaborating across research, engineering, and product teams.

You will implement high-performance numerical methods for material science, optimize benchmarks, and help integrate workflows with AI surrogates in NVIDIA ALCHEMI.

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 some of the brightest minds in computational chemistry and AI to develop new tools and features in NVIDIA ALCHEMI to enable developers and researchers with performant atomistic simulation workflows.
• Work directly with a customer or developer, guiding them how to integrate material science applications with AI surrogates using NVIDIA ALCHEMI into their workflows.
• Profile the application and run benchmarks to show the product’s value proposition.
• Collaborate with subject matter experts on whitepapers and research.
• Engage and participate in workshops focussed on the intersection of material science and AI.

Skills

Fortran

C++

CUDA

Python

Education

PhD or equivalent in computational physics/chemistry/CS or related field

Tools

Material Science tools

Job description

NVIDIA is seeking a senior application engineer to accelerate AI-driven simulations for materials discovery within the ALCHEMI stack. You will translate cutting-edge research into software used by scientists for real discovery, collaborating across research, engineering, and product teams.

You will implement high-performance numerical methods for material science, optimize benchmarks, and help integrate workflows with AI surrogates in NVIDIA ALCHEMI.