Sr./Principal HPC Application Engineer

About TandemAI

TandemAI is an advanced technology company dedicated to reinventing drug discovery infrastructure. The company integrates proprietary AI-driven, high-performance computation with its efficient, large-scale in-house wet lab operations to deliver a turnkey drug discovery solution.

About the Role

The Sr./Principal HPC Application Engineer will lead the performance optimization effort and contribute to the development of efficient large-scale scientific workflows for accelerating drug discovery.

You will:

  • Collaborate closely with a multidisciplinary team of computational and medicinal chemists, machine learning engineers, biophysicists, and biologists to build a world-class computational drug discovery platform
  • Design, implement and deploy best-in-class scientific computational workflows that are computationally efficient and robust in heterogeneous computing environments
  • Optimize computational workflows performance around on-prems HPC systems at scale

Explore workflow performance acceleration opportunities to help define future HPC system requirements


  • BS/MS in Computer Science or related quantitative field with 6-8 years of relevant experience (or Ph.D. in one of these fields with at least 5 years of relevant experience)
  • Hands-on experience with developing efficient scientific software on HPC systems
  • Deep understanding of HPC computing systems: network, processors, memory subsystems, and accelerators
  • Profound experience with analyzing and optimizing the performance of scientific applications on heterogeneous systems
  • Experience with MPI, OpenMP, and CUDA
  • Expertise in programming language(s) like Python and C/C++
  • Familiarity with machine learning, physics-based simulation, and scientific workflow management on HPC systems
  • Experience with computer-aided drug design and cheminformatics a plus, but not required
  • Excellent written and oral communication skills, including an ability to explain complex ideas to non-specialists

At TandemAI, we are committed to building a world-class team whose culture is founded on collaboration, intellectual curiosity, trust, and respect. We firmly believe that our exceptional staff will be the key to our success and are committed to high standards and rigorous science. Because of this, we are prepared to offer a competitive salary, stock options, and a wide range of benefits that include healthcare, a 401k, pre-tax commuter benefits, and a flexible work schedule.

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