- Computational Materials Scientist -

Company: Mat3ra
Location: Walnut Creek
Posted on: May 24, 2025

Job Description:

OverviewWe 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 conceptsWhy 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 capitalMinimum RequirementsScientific
    • 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 learningEngineering
      • Python (advanced)
      • Linux/RedHat/Bash (advanced)
      • MongoDB/JSON (intermediate)
      • Message-passing interface / OpenMP (intermediate)
      • Other (GPU, TPU) - willing to learnOther
        • Ability to learn and apply new concepts rapidly
        • Extreme attention to detailsPlus
          • Familiarity with AWS EC2, Microsoft Azure
          • Familiarity with SaltStack or similarCompany 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 PlanCompensation
              • $90,000 - $140,000 salary range
              • 0.1 - 0.5% stock options
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Keywords: Mat3ra, Oakland , - Computational Materials Scientist -, Other , Walnut Creek, California