AI Solutions Architect - Materials & Chemistry

Job Description

Job Title: Senior AI Solutions Architect - Materials Science and Chemistry. Location:

• US, California, Remote
• Remote position
• Travel: Less than 25%

Responsibilities:

• Support Business Development and Sales teams as part of a Solutions Architecture team.
• Partner with Industry Business leads, Account Managers, and Developer Relations managers to drive ecosystem success across Materials Science and Chemistry accounts.
• Work directly with computational chemists, materials scientists, and customer R&D and engineering teams.
• Help developers GPU-accelerate and scale materials and chemistry workflows, including density functional theory (DFT), molecular dynamics (MD), quantum chemistry, machine-learning interatomic potentials (MLIP), high-throughput screening, and generative molecular and materials design;
• Use NVIDIA ALCHEMI and CUDA-X to accelerate computational materials and chemistry workloads.
• Apply physics-informed ML and surrogate modeling, including NVIDIA PhysicsNeMo.
• Accelerate computational fluid dynamics and reaction/transport simulations for chemical-process and formulation workflows.
• Apply AI/ML and domain-adapted LLMs to property prediction, inverse design, materials informatics, agentic R&D copilots, and knowledge retrieval.
• Analyze materials, chemistry, and process-simulation application architectures and identify opportunities for acceleration;
• Provide feedback and collaborate with engineering, product, and research teams.
• Deliver technical training, hackathons, and demonstrations of NVIDIA solutions and platforms.

Qualifications:

• BS, MS, or PhD in Materials Science, Chemistry, Chemical Engineering, Computational or Physical Chemistry, Condensed-Matter or Applied Physics, Computational Science, or a related technical field, or equivalent experience.
• 8+ years of experience in computational materials science or chemistry, including atomistic simulation such as DFT, MD, or Monte Carlo, quantum chemistry, materials informatics, physics-based process or fluid-dynamics simulation, and/or AI/ML applied to these fields.
• Familiarity with materials and chemistry simulation tools and methods such as VASP, Quantum ESPRESSO, GROMACS, LAMMPS, Gaussian, and Schrödinger Suite.
• Experience with DFT, MD, quantum chemistry, machine-learning interatomic potentials such as MACE and NequIP/Allegro, and/or CFD and reaction-transport methods for chemical processes;
• Experience programming algorithms using Python and C/C++, with familiarity with GPU acceleration for compute-intensive workloads.
• Development experience with major AI frameworks such as PyTorch and TensorFlow for scientific ML.
• Experience with graph and equivariant neural networks, generative models, or surrogate modeling.
• Familiarity with accelerated computing platforms, GPU-based distributed systems, and HPC clusters and schedulers such as Slurm.
• Familiarity with containers, numerical libraries, modular software design, version control, and GitHub.
• Experience designing, prototyping, and building complex AI/ML-based solutions for customers.
• Ability to reason across data pipelines, models, compute, networking, and orchestration;
• Strong written and oral communication skills.
• Ability to collaborate effectively and adapt quickly in a fast-paced environment.

Preferred:

• Experience with NVIDIA ALCHEMI, machine-learning interatomic potentials, or GPU-accelerated DFT, MD, and quantum-chemistry workflows.
• Experience developing physics-ML and surrogate models, including NVIDIA PhysicsNeMo and physics-informed neural networks.
• Experience GPU-accelerating CFD and reaction/transport solvers for chemical processes.
• Experience applying domain-adapted LLMs and agentic AI to chemistry and materials R&D;
• Experience with NeMo, NIM microservices, RAG, knowledge retrieval, and generative molecular or materials design.
• Experience with Kubernetes, distributed training, and large-scale inference.
• Experience with DGX Cloud and Run.
• Experience with foundation models for atomistic simulation, including MACE, Orb, and UMA.
• Experience with high-throughput virtual screening;
• Experience using Omniverse digital twins for chemical-process and fluid-dynamics workflows.

Benefits And Compensation:

• Base salary range of $184,000 to $287,500 per year.
• Eligibility for equity.
• Comprehensive benefits package.
• Compensation is determined based on location, experience, and compensation for employees in similar positions.
• NVIDIA describes the role as an opportunity to work with advanced AI, accelerated computing, materials science, and chemistry technologies.

Additional Information:

• Applications were scheduled to be accepted at least until August 23, 2026.
• This posting is for an existing vacancy.
• NVIDIA uses AI tools in its recruiting processes;
• NVIDIA is an equal opportunity employer committed to an inclusive work environment.