Computational Chemist - GPU Acceleration
Core
Develop and optimize computational chemistry and electronic-structure algorithms for GPU-accelerated computing platforms to solve industrially relevant chemistry and materials problems.
Role type
Senior IC computational chemist (GPU acceleration & HPC)
Builds
Scalable scientific software for molecular and materials simulations
Domain
Quantum computing, computational chemistry, high-performance computing
Deliverable
production ML models | product features
Required skills
computational chemistry, electronic-structure theory, GPU programming, C++, CUDA, HIP/ROCm, high-performance computing, parallel scientific workloads, numerical methods
Preferred skills
GPU implementations of electronic-structure methods, porting across NVIDIA and AMD architectures, optimizing large computational pipelines
Technologies
CUDA, HIP, ROCm, C++, Python, Fortran
Responsibilities
Develop and optimize computational chemistry algorithms for GPU platforms; Design scientific software utilizing NVIDIA and AMD GPU architectures; Profile and optimize computational kernels and memory movement; Develop pipelines combining classical HPC/GPU with quantum workflows; Identify and solve bottlenecks in electronic-structure methods; Implement numerical methods for tensor contractions and linear algebra; Benchmark classical GPU methods against quantum algorithms; Contribute to scalable scientific software architecture; Evaluate emerging GPU frameworks and hardware capabilities.
Seniority
Senior, hands-on IC
