Senior Research Scientist, Battery Materials Simulation

SandboxAQ

Senior Research Scientist at SandboxAQ focusing on battery materials simulation and optimization using advanced computational techniques. Collaborating within a high-growth team leveraging AI in material science.

Posted 6/26/2026full-timeRemote • 🇺🇸 United StatesSenior💰 $134,400 - $252,000 per yearWebsite

Tech Stack

Tools & technologies

CloudPythonPyTorchTensorflow

About the role

Key responsibilities & impact

Conduct advanced simulations using DFT, MD, enhanced sampling methods, and ML-based approaches.
Model surface reactions, interfacial degradation mechanisms, and electrochemical processes.
Develop and deploy computational workflows for high-throughput materials screening, reaction modeling, and materials optimization.
Lead high-fidelity data generation campaigns.

Requirements

What you’ll need

Ph.D. in Materials Science, Chemical Engineering, Chemistry, Physics, Computer Science, or a related field.
5+ years of industry experience in computational battery materials research beyond the Ph.D.
Strong theoretical foundation in thermodynamics, kinetics, electrochemistry, and materials science.
Proficiency in DFT and atomistic simulation tools (e.g., VASP, Quantum ESPRESSO, CP2K).
Familiarity with machine learning force fields and frameworks (e.g. MACE, TensorNet, NequIP, Allegro, or FairChem).
Experience modeling surfaces, interfaces, reaction pathways, and electrochemical systems.
Strong programming skills in Python and experience with modern ML frameworks (e.g., PyTorch, TensorFlow, JAX).
Experience with cloud and high-performance computing environments.
Demonstrated ability to independently drive complex technical projects.

Benefits

Comp & perks

Comprehensive health, dental, and vision insurance
401(k) with company match
Generous parental leave
Flexible hybrid work arrangements
Generous PTO
Career development opportunities
Direct exposure to CHIPS Act-funded programs

ATS Keywords

✓ Tailor your resume

Applicant Tracking System Keywords

Tip: use these terms in your resume and cover letter to boost ATS matches.

Hard Skills & Tools

DFTMDenhanced sampling methodsmachine learningthermodynamicskineticselectrochemistryPythonhigh-throughput materials screeningreaction modeling

Soft Skills

independent project management

Certifications

Ph.D. in Materials SciencePh.D. in Chemical EngineeringPh.D. in ChemistryPh.D. in PhysicsPh.D. in Computer Science