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💎 Computational Materials Scientist 💎

Mat3raWalnut Creek, California🇺🇸United StatesPosted 11 Feb 2026

Why This Role Stands Out

This on-site Computational Materials Scientist role offers a competitive salary range of $90,000-$140,000 and a unique opportunity to pioneer the future of materials discovery through software development and AI. You will thrive here if you possess a strong background in materials science and computational modeling, eager to contribute to impactful projects within a growing, innovative company and advance into leadership positions. Apply now to shape the next generation of advanced materials!

Quick Overview

Salary
$90k - $140k/yr
Seniority
Mid Senior
Employment type
Full Time
Work mode
On Site
Location
Walnut Creek, California, United States
Posted
7 months ago
401kMongoDBAWSMachine LearningAzureBashPython

Job Description

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

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

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

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