Computational Materials Scientist
- Pay
- $90,000 – $140,000 per year
- Location
- Walnut Creek, CA
- Listed
- 14 days ago
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
Requirements & Qualifications
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
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
From Mat3ra's careers page, first listed on Rolev.ai on October 27, 2026. Rolev.ai is not the employer.
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Common questions
What is the salary for the Computational Materials Scientist role at Mat3ra?
The Computational Materials Scientist posting at Mat3ra states compensation of $90,000 – $140,000 per year. Final pay may depend on location, experience, and interview evaluation on Mat3ra's official career site.
Where is the Computational Materials Scientist job at Mat3ra located?
This Computational Materials Scientist position at Mat3ra is located in Walnut Creek, CA. Always check Mat3ra's application page for specific state eligibility or relocation policies.
How do I apply for the Computational Materials Scientist position at Mat3ra?
This listing links directly to Mat3ra's Workable application page. You can apply directly on Mat3ra's site, or use Rolev.ai to check your resume fit, generate a zero-hallucination tailored resume and cover letter for this posting, and autofill the Workable application form in 1 click with the Rolev.ai Chrome extension. You always review the form and press Submit yourself.