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Computational Chemist - GPU Acceleration

psiquantum · Palo Alto, California, United States · On-site

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About psiquantum

PsiQuantum is on a mission to build the first commercially useful quantum computer to solve humanity. Backed by Founders Fund and Redpoint.

About the role

Want to be at the forefront of using high-performance computing, GPU acceleration, computational chemistry, and quantum computing to solve challenging problems in chemistry and materials science?

What they're looking for

  • Ph.D. in computational chemistry, theoretical chemistry, computational physics, materials science, computer science, or a closely related field, or equivalent relevant experience
  • Strong understanding of computational chemistry or electronic-structure methods, such as density functional theory, wave-function-based quantum chemistry, atomistic simulation, or related numerical methods
  • Demonstrated experience developing or optimizing GPU-accelerated scientific software
  • Experience programming for GPU or heterogeneous computing environments, for example using CUDA, HIP/ROCm, or comparable GPU programming frameworks
  • Experience working with NVIDIA and/or AMD GPU architectures and understanding of GPU performance considerations such as memory hierarchy, data movement, parallel execution, and kernel performance
  • Strong experience with high-performance computing and parallel scientific workloads
More about this role

PsiQuantum's mission is to build the first useful quantum computers: machines capable of delivering the breakthroughs the field has long promised. Since our founding in 2016, our singular focus has been to build and deploy million-qubit, fault-tolerant quantum systems.

Quantum computers harness the laws of quantum mechanics to solve problems that even the most advanced supercomputers or AI systems will never reach. Their impact will span energy, pharmaceuticals, finance, agriculture, transportation, materials, and other foundational industries.

Our architecture and approach is based on silicon photonics. By leveraging the advanced semiconductor manufacturing industry, including partners like GlobalFoundries, we use the same high-volume processes that already produce billions of chips for telecom and consumer electronics. Photonics offers natural advantages for scale: photons don't feel heat, are immune to electromagnetic interference, and integrate with existing cryogenic cooling and standard fiber-optic infrastructure.

That approach has since been tested at the highest level of scrutiny the U.S. government applies to emerging technology, and it has held up. In 2025, PsiQuantum...

Read the full posting on psiquantum's site ↗

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