💎 Computational Materials Scientist 💎

Full-time
Walnut Creek, CA, usvia Workable ATSPosted Feb 11, 2026
Match with my CV

Technical skills

PythonNoSQLData scienceAWSAzureCloud platforms

Role signals

Product design

About this role

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

Before you apply

  • 1Which parts of your CV prove experience with Python, NoSQL, and Data science?
  • 2Which recent work examples would make your application stronger for this role?
  • 3What details from the original source listing should you confirm before applying?

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