NVIDIA · 1 day ago
Senior Machine Learning Engineer - Chemistry and Materials Science
Santa Clara, CA
Full-time
Onsite
Senior Level
$152K/yr - $242K/yr
5+ years expNVIDIA is a leading AI company known for its deep learning and HPC platforms, and they are seeking a Senior Machine Learning Engineer to develop cutting-edge machine learning frameworks. The role involves working with internal project teams to validate applications and staying updated with the latest research in deep learning techniques to enhance NVIDIA's technologies.
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Responsibilities
Work with some of the brightest minds in a leading AI company to develop leading machine learning frameworks including NVIDIA PhysicsNeMo and ALCHEMI used by our academic and industry partners to accelerate scientific discovery and solve real world problems at scale
Work with internal project teams to validate applications built using the framework across NVIDIA's products
Stay up to date with the latest research and innovations in deep learning techniques, implement and experiment with new ideas to develop and enhance NVIDIA's deep learning technologies that couple physical simulations with AI/ML models
Qualification
Required
BS or MS degree (PhD preferred) in computer science, mathematics, computational chemistry/materials science, physical chemistry or related technical field or equivalent experience
5+ yrs of relevant experience
Strong Python programming skills
Familiarity with containers, continuous integration/continuous development, numeric libraries, modular software design, and collaborative programming/engineering
Good understanding and intuition for state-of-the-art AI/ML architectures and techniques including but not limited to geometric deep learning, Euclidean neural networks, diffusion/flow matching
Familiarity across the AI framework ecosystem: e.g. PyTorch, PyTorch Geometric, Jax, Flax
Experience across the AI/ML model lifecycle: from dataset curation to training techniques, to inference deployment and performance optimization
Proven track record of applying AI/ML techniques to solve real world problems in chemistry and materials science: e.g. surrogate interatomic potentials, inverse design, crystal structure prediction, experimental characterization
Strong analytical skills with bias for action. Good time management and organization skills to thrive in a fast paced, dynamic environment
Solid written and oral communications skills
Good teamwork and interpersonal skills
Preferred
Work with distributed systems with data-parallel and model parallel programming experience
Experience with CUDA Python
Experience working with GPU (SIMT/Tile) parallelism
Published papers in the field of AI with chemistry and materials science applications
Presentations at major workshops and conferences; NeurIPS, ICLR, ICML
Familiarity with accelerated simulation packages in quantum chemistry (e.g. PySCF, VASP) and/or molecular dynamics (e.g. LAMMPS, OpenMM)
Benefits
Equity
Benefits
Company
NVIDIA
NVIDIA is a computing platform company operating at the intersection of graphics, HPC, and AI.
10001+ employees
H1B Sponsorship
NVIDIA has a track record of offering H1B sponsorships. Please note that this does not
guarantee sponsorship for this specific role. Below presents additional info for your
reference. (Data Powered by US Department of Labor)
Distribution of Different Job Fields Receiving Sponsorship
Represents job field similar to this job
Trends of Total Sponsorships
2025 (1877)
2024 (1355)
2023 (976)
2022 (835)
2021 (601)
2020 (529)
Funding
Current Stage
Public CompanyTotal Funding
$4.09BKey Investors
ARPA-EARK Investment ManagementSoftBank Vision Fund
2023-05-09Grant· $5M
2022-08-09Post Ipo Equity· $65M
2021-02-18Post Ipo Equity
Leadership Team
Jensen Huang
Founder and CEO
Michael Kagan
Chief Technology Officer
Recent News
2026-02-06
The Real Deal
2026-02-06
2026-02-06
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