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The AI-ready digital hub for materials R&D

Lead Computational Materials Scientist

$90k – $140k • 0.5% – 0.9%
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The real-world J.A.R.V.I.S for Materials Research and Development.


You will help us develop a software framework for the design and discovery of new advanced materials and chemicals (think J.A.R.V.I.S from the well-known movie).

Work will focus on (1) the application of nanoscale modeling to large sets of materials, surfaces, and reaction pathways with minimal human input, (2) organizing the data produced by the models and experimental validation, (3) establishing artificial intelligence approaches using the data.

Successful candidates will continue into a leadership role as we grow.

This is a full-time permanent position. Publications are encouraged.


  • materials modeling
  • software development
  • product design and concept development
  • work closely with the engineering team, relay and explain complex concepts


  • see the results of your creative work used directly by the world's leading enterprises
  • realize your ambitions and directly define how materials research is done in the future
  • work with top-tier human capital in research, engineering and venture capital



  • excellent knowledge of chemistry/materials science (Ph.D. from a tier-1 lab)
  • prior work on advanced electronic structure methods (VASP, Quantum ESPRESSO, Gaussian, NWChem, Siesta, or similar)
  • prior experience with machine learning


  • python (advanced)
  • linux/redhat/bash (advanced)
  • MongoDB/JSON (intermediate)
  • fortran (intermediate)
  • message-passing interface / openmp (intermediate)
  • other (GPU, TPU) - willing to learn


  • ability to learn and apply new concepts rapidly
  • extreme attention to details


  • familiarity with AWS EC2, Microsoft Azure
  • familiarity with SaltStack or similar


  • equipment of your choice
  • unlimited vacation days


Our hiring process and example assignments are explained in more details at https://github.com/exabyte-io/rewotes

Meet your team

People you would work with in this role

Jonathan Hanson

Avatar for Jonathan Hanson
I'm an engineer with a sciences background and a focus on complex systems. I'm very interested in promoting self-reliance through robotics and automation.
Founder @Exabyte.io • Physics PhD @University Of California, Berkeley • Developing new materials and chemicals through modeling and machine learning.

Exabyte.io at a glance

The AI-ready digital hub for materials R&D

Exabyte.io focuses on Enterprise Software, Nanotechnology, Cloud Infrastructure, and Modeling And Simulation. Their company has offices in San Francisco and Tokyo. They have a small team that's between 1-10 employees. To date, Exabyte.io has raised $850K of funding; their latest round was closed on August 2017.

You can view their website at https://exabyte.io/ or find them on Twitter, Facebook, and LinkedIn.

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