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

Requirements

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.

Benefits

Equity
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Applicant Tracking System Keywords

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Hard Skills & Tools

Pythondeep learningAI/ML architecturesgeometric deep learningEuclidean neural networksdiffusion matchingPyTorchJaxFlaxdataset curation

Soft Skills

analytical skillstime managementorganization skillscommunication skillsteamworkinterpersonal skillsbias for action