Senior Battery Materials Simulation Scientist (DFT/ML)

SandboxAQ; United States; Hybrid; USD 100,000 - 140,000; Full time

Benefits offered by this job

Comprehensive health, dental, and vision insurance

401(k) with company match

Generous parental leave

Job summary

SandboxAQ is seeking a highly skilled Senior Research Scientist in Battery Materials Simulation to develop computational workflows and AI-driven approaches for next-generation battery materials.

The ideal candidate will possess deep expertise in advanced simulation techniques, including DFT and MD, along with experience in mentorship and collaboration.

This role offers competitive compensation, a comprehensive benefits package, and flexible working arrangements.

Qualifications

• 5+ years of industry experience in computational battery materials research.
• Proficiency in DFT and atomistic simulation tools.
• Strong programming skills in Python and experience with modern ML frameworks.

Responsibilities

• Conduct advanced simulations using DFT, MD, and ML for battery materials.
• Develop ML force fields and surrogate models for battery materials.
• Guide project execution and mentor junior scientists.

Skills

Computational battery materials research

Density Functional Theory (DFT)

Molecular Dynamics (MD)

Machine learning (ML)

Surface chemistry modeling

Education

Ph.D. in Materials Science or related field

Tools

VASP

Quantum ESPRESSO

Python

Job description

SandboxAQ is seeking a highly skilled Senior Research Scientist in Battery Materials Simulation to develop computational workflows and AI-driven approaches for next-generation battery materials.

The ideal candidate will possess deep expertise in advanced simulation techniques, including DFT and MD, along with experience in mentorship and collaboration.

This role offers competitive compensation, a comprehensive benefits package, and flexible working arrangements.