Computational Chemist

Job Summary

Seeking a full-time Computational Chemist with expertise in GPU acceleration and scientific software development, this role focuses on developing and optimizing computational chemistry algorithms for modern heterogeneous computing platforms, particularly utilizing AMD and NVIDIA GPUs.

Key responsibilities

• Develop, implement, and optimize computational chemistry and electronic-structure algorithms for GPU-accelerated computing platforms
• Profile and optimize computational kernels and scientific workflows to enhance performance and scalability
• Collaborate with computational chemists and quantum algorithm researchers to benchmark and validate GPU-accelerated classical methods against emerging quantum algorithms

Required qualifications

• Ph.D. in computational chemistry, theoretical chemistry, computational physics, materials science, computer science, or a closely related field
• Strong understanding of computational chemistry or electronic-structure methods, such as density functional theory or atomistic simulation
• Demonstrated experience developing or optimizing GPU-accelerated scientific software
• Experience programming for GPU or heterogeneous computing environments using frameworks like CUDA or HIP/ROCm
• Proficiency in scientific programming using C++, C, Fortran, and/or Python