Senior AI Solutions Architect - Materials Science and Chemistry

NVIDIA has been transforming computer graphics, PC gaming, and accelerated computing for more than 25 years. It's a unique legacy of innovation that's fueled by great technology—and amazing people. Today, we're tapping into the unlimited potential of AI to define the next era of computing. An era in which our GPU acts as the brains of computers, robots, and self-driving cars that can understand the world. Doing what's never been done before takes vision, innovation, and the world's best talent. As an NVIDIAN, you'll be immersed in a diverse, supportive environment where everyone is inspired to do their best work. Come join the team and see how you can make a lasting impact on the world. We are looking for a Senior AI Solutions Architect to support our Materials Science & Chemistry accounts — the chemical and advanced-materials companies, battery and energy-materials makers, materials- and chemistry-software vendors, and research labs adopting accelerated computing and AI across materials discovery, molecular design, and chemical-process engineering. In this role you will be a trusted technical advisor to computational chemists, materials scientists, and R&D engineering teams, embedding NVIDIA accelerated computing, NVIDIA ALCHEMI, physics-informed ML, and Generative AI into atomistic simulation, quantum chemistry, process design, and process-simulation workflows. You will play a direct role in improving application performance, compressing discovery and formulation cycles, and establishing the technical foundation required for next-generation materials and chemistry systems.

Support Business Development and Sales teams as part of a small Solutions Architecture team, partnering with Industry Business leads, Account Managers, and Developer Relations managers to drive ecosystem success across Materials Science & Chemistry accounts (chemical and materials companies, battery/energy-materials makers, materials/chemistry ISVs and startups, and research labs). Work directly with computational chemists, materials scientists, and customer R&D and engineering teams in a customer-facing setting. Help developers GPU-accelerate and scale materials and chemistry workflows — density functional theory (DFT), molecular dynamics (MD), quantum chemistry, machine-learning interatomic potentials (MLIP), high-throughput screening, and generative molecular/materials design — using NVIDIA ALCHEMI and CUDA-X. Apply physics-informed ML and surrogate modeling (e.g., NVIDIA PhysicsNeMo) and accelerate computational fluid dynamics and reaction/transport simulation for chemical-process and formulation workflows. Apply AI/ML and domain-adapted LLMs to materials and chemistry: property prediction, inverse design, materials informatics, and agentic R&D copilots and knowledge retrieval. Analyze materials, chemistry, and process-simulation application architectures and find opportunities for acceleration. Provide feedback and collaborate with engineering, product, and research teams. Deliver trainings, hackathons, and technical demonstrations on NVIDIA solutions and platforms. What we need to see: BS/MS/PhD in Materials Science, Chemistry, Chemical Engineering, Computational/Physical Chemistry, Condensed-Matter or Applied Physics, Computational Science, or a related technical field (or equivalent experience). 8+ years in computational materials science or chemistry — atomistic simulation (DFT, MD, Monte Carlo), quantum chemistry, materials informatics, or physics-based process/fluid-dynamics simulation — and/or AI/ML applied to these domains. Familiarity with materials/chemistry simulation tools and methods (e.g., VASP, Quantum ESPRESSO, GROMACS, LAMMPS, Gaussian, Schrödinger Suite; DFT, MD, quantum chemistry) and/or machine-learning interatomic potentials (e.g., MACE, NequIP/Allegro) and CFD/reaction-transport for chemical processes. Experience in algorithm programming using languages like Python and C/C++, with