Senior Software Engineer – Accelerated Quantum Chemistry and cuEST

Role responsibilities

Architect, implement, and optimize production-grade GPU solutions for the cuEST quantum chemistry library. Collaborate with cross-functional teams and the broader scientific community to drive the adoption of GPU-accelerated electronic structure computations.

Requirements

Requires a PhD or equivalent in a technical field with over 10 years of experience in high-performance numerical methods and 5+ years in quantum chemistry packages. Expert proficiency in C++, CUDA, and GPU performance optimization is essential.

Key skills

GPU Software Development, Performance Optimization, C++, CUDA, Quantum Chemistry, Numerical Methods, Scientific Computing, Electronic Structure Theory, Gaussian-basis Quantum Chemistry, Tensor Cores, Mixed Precision Algorithms, Agentic AI, Algorithm Design, High Performance Computing

Keywords

NVIDIA, cuEST, CUDA-X, GPU, Quantum Chemistry, Electronic Structure Theory, Gaussian-basis, C++, CUDA, Scientific Computing, Numerical Methods, Tensor Cores, Mixed Precision, Floating Point Emulation, Periodic Boundary Conditions, Response Properties, Agentic AI, High Performance Computing, Drug Discovery, Semiconductor Process Development