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Role description

💎 Computational Materials Scientist 💎

Mat3ra logoMat3ra
0.1–0.5% equityAI-native
TypeFull-time
WorkplaceRemote
Salary$90,000–$140,000
LocationWalnut Creek, CA
Posted2/11/2026
Engineering

Overview

We look for computational materials scientists excited about bridging the gap between materials/chemistry, data science, and computer science to help us develop a software framework for designing and discovering new advanced materials and chemicals.

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 leadership roles as we grow.
This is a full-time permanent position.

Responsibilities

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

Why Join

  • 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

Requirements

Scientific

  • 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

Engineering

  • python (advanced)
  • Linux/RedHat/Bash (advanced)
  • MongoDB/JSON (intermediate)
  • message-passing interface / OpenMP (intermediate)
  • other (GPU, TPU) - willing to learn

Other

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

Plus

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

Benefits

Company Benefits Include

  • Health Care Plan (Medical, Dental & Vision)
  • Retirement Plan (401k, IRA)
  • Life Insurance (Basic, Voluntary & AD&D)
  • Paid Time Off (Vacation, Sick & Public Holidays)
  • Short Term & Long Term Disability
  • Training & Development
  • Work From Home
  • Free Food & Snacks
  • Wellness Resources
  • Stock Option Plan

Compensation

  • $90,000 - $140,000 salary range
  • 0.1 - 0.5% stock options

Relevant archetypes

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Company info

Mat3ra logo

Mat3ra

Materials R&D Cloud

Mat3ra.com is a cloud-based platform providing the digital infrastructure for the accelerated design and development of new materials. It is developed by Exabyte Inc., a technology company based in the San Francisco Bay Area, California (UEI: F5GSDMC5N3C3). The platform enables materials scientists and engineers to design, model, and prototype new compounds rapidly and cost-effectively — combining physics-based modeling and simulations, AI/ML, and collaborative data management in a single environment. Applications span semiconductors, clean energy, aerospace, automotive, defense, and other advanced-technology fields. Founded by former UC Berkeley scientists and launched through the Alchemist Accelerator, the company is backed by Draper Associates (Tim Draper), Breakout Labs, Serg Bell, and other investors. Mat3ra works with major U.S. enterprises and research institutions — including the Department of Defense, the Department of Energy, and the Department of Commerce/NIST — as well as

Private companySeedIn the news
Founded2014
HQWalnut Creek, United States
Unlock human wisdom
ThesisTermsPrivacy
Size
11–50 employees
IndustrySoftware Development
Funding
  • Seed · $3M · Feb 4, 2022
Investors
Serg BellDraper Associates
News
  • Mat3ra.com adds support for NVIDIA ALCHEMI

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