The Opportunity
Introduction to the team: The Batteries vertical sits at the intersection of ChemSim and AI Simulation, where SandboxAQ uses physics-based simulation, proprietary datasets, and Large Quantitative Models (LQMs) to discover and optimize next-generation battery materials. Our goal is to compress slow, empirical battery R&D into an AI-driven workflow spanning prediction, simulation, and materials discovery for high-impact applications including solid-state batteries, Cobalt-free cathodes, beyond Li-ion cell chemistries, and resilient energy storage systems.
Introduction to the role: We are seeking a highly skilled Research Scientist in Materials Simulation to join our dynamic team. The ideal candidate will have a strong background in applying advanced simulation techniques, particularly Density Functional Theory (DFT) and Molecular Dynamics (MD), to battery materials. Additionally, expertise in building, fine-tuning or optimizing AI models for chemistry and material discovery.
Key Responsibilities
- Conduct advanced simulations using DFT and MD for solid-state materials, with a focus on predicting properties for solid-state electrolytes and interfacial degradation reactions.
- Employ data-driven approaches to analyze large datasets derived from computational simulations and experiments to uncover new insights into materials behavior.
- Conduct high-fidelity data generation campaigns and develop ML force fields for solid-state materials.
- Guide and scope projects with clear deliverables alongside agile teams.
- Collaborate closely with multi-disciplinary teams to independently prototype and scale cutting-edge, impactful materials design solutions.
- Generate and evaluate hypotheses to assist design decisions and influence project direction by developing and deploying computational methods and workflows.
- Effectively present and communicate research findings through scientific talks, blog posts, client-oriented presentations, and peer-reviewed publications.
Essential Skills & Experience
- Ph.D. in Materials Science, Chemical Engineering, Chemistry, Computer Science, or a related field is preferred.
- 3+ years of hands-on experience in modeling complex solid-state battery materials, such as cathodes, anodes, solid-state electrolytes, and/or interfacial reactions at non-equilibrium states is highly desirable.
- Proficiency in common DFT and MD simulation software (e.g., VASP, Quantum ESPRESSO, LAMMPS, ASE).
- Experience with developing or using AI models for chemistry and material discovery using popular deep learning frameworks on CPUs and GPUs.
- Proven ability to benchmark and compare domain specific AI models for materials discovery.
Highly Desired Skills & Experience
- Contributions to open-source projects related to MLIPs.
- Authorship of publications in high impact peer-reviewed journals or conferences.
- Demonstrated ability in project leadership within an industrial setting, including managing teams, timelines, and deliverables.
Why Join Us?
We offer competitive compensation, a comprehensive benefits package, and opportunities for professional growth.
- Compensation: Competitive base salary commensurate with experience, plus equity and performance-based incentives.
- Benefits: Comprehensive health, dental, and vision insurance; 401(k) with company match; generous parental leave.
- Work-Life Balance: Flexible hybrid work arrangements, generous PTO, and a culture that respects focus time and recovery.
- Career Development: Direct exposure to CHIPS Act-funded programs, senior scientific and executive leadership, mentorship, and dedicated learning budgets to support continued growth.
SandboxAQ Welcomes All
We are committed to fostering a culture of belonging and respect, where diverse perspectives are actively sought and valued. Our multidisciplinary environment provides ample opportunity for continuous growth - working alongside humble, empowered, and ambitious colleagues ready to tackle epic challenges.
Equal Employment Opportunity: All qualified applicants will receive consideration regardless of race, color, ancestry, religion, sex, national origin, sexual orientation, age, citizenship, marital status, disability, gender identity, or Veteran status.
Accommodations: We provide reasonable accommodations for individuals with disabilities in job application procedures for open roles. If you need such an accommodation, please let a member of our Recruiting team know.
Read: Guidance for candidates on using AI Tools in interviews
The Opportunity
Introduction to the team: The Batteries vertical sits at the intersection of ChemSim and AI Simulation, where SandboxAQ uses physics-based simulation, proprietary datasets, and Large Quantitative Models (LQMs) to discover and optimize next-generation battery materials. Our goal is to compress slow, empirical battery R&D into an AI-driven workflow spanning prediction, simulation, and materials discovery for high-impact applications including solid-state batteries, Cobalt-free cathodes, beyond Li-ion cell chemistries, and resilient energy storage systems.
Introduction to the role: We are seeking a highly skilled Research Scientist in Materials Simulation to join our dynamic team. The ideal candidate will have a strong background in applying advanced simulation techniques, particularly Density Functional Theory (DFT) and Molecular Dynamics (MD), to battery materials. Additionally, expertise in building, fine-tuning or optimizing AI models for chemistry and material discovery.
Key Responsibilities
- Conduct advanced simulations using DFT and MD for solid-state materials, with a focus on predicting properties for solid-state electrolytes and interfacial degradation reactions.
- Employ data-driven approaches to analyze large datasets derived from computational simulations and experiments to uncover new insights into materials behavior.
- Conduct high-fidelity data generation campaigns and develop ML force fields for solid-state materials.
- Guide and scope projects with clear deliverables alongside agile teams.
- Collaborate closely with multi-disciplinary teams to independently prototype and scale cutting-edge, impactful materials design solutions.
- Generate and evaluate hypotheses to assist design decisions and influence project direction by developing and deploying computational methods and workflows.
- Effectively present and communicate research findings through scientific talks, blog posts, client-oriented presentations, and peer-reviewed publications.
Essential Skills & Experience
- Ph.D. in Materials Science, Chemical Engineering, Chemistry, Computer Science, or a related field is preferred.
- 3+ years of hands-on experience in modeling complex solid-state battery materials, such as cathodes, anodes, solid-state electrolytes, and/or interfacial reactions at non-equilibrium states is highly desirable.
- Proficiency in common DFT and MD simulation software (e.g., VASP, Quantum ESPRESSO, LAMMPS, ASE).
- Experience with developing or using AI models for chemistry and material discovery using popular deep learning frameworks on CPUs and GPUs.
- Proven ability to benchmark and compare domain specific AI models for materials discovery.
Highly Desired Skills & Experience
- Contributions to open-source projects related to MLIPs.
- Authorship of publications in high impact peer-reviewed journals or conferences.
- Demonstrated ability in project leadership within an industrial setting, including managing teams, timelines, and deliverables.
Why Join Us?
We offer competitive compensation, a comprehensive benefits package, and opportunities for professional growth.
- Compensation: Competitive base salary commensurate with experience, plus equity and performance-based incentives.
- Benefits: Comprehensive health, dental, and vision insurance; 401(k) with company match; generous parental leave.
- Work-Life Balance: Flexible hybrid work arrangements, generous PTO, and a culture that respects focus time and recovery.
- Career Development: Direct exposure to CHIPS Act-funded programs, senior scientific and executive leadership, mentorship, and dedicated learning budgets to support continued growth.
SandboxAQ Welcomes All
We are committed to fostering a culture of belonging and respect, where diverse perspectives are actively sought and valued. Our multidisciplinary environment provides ample opportunity for continuous growth - working alongside humble, empowered, and ambitious colleagues ready to tackle epic challenges.
Equal Employment Opportunity: All qualified applicants will receive consideration regardless of race, color, ancestry, religion, sex, national origin, sexual orientation, age, citizenship, marital status, disability, gender identity, or Veteran status.
Accommodations: We provide reasonable accommodations for individuals with disabilities in job application procedures for open roles. If you need such an accommodation, please let a member of our Recruiting team know.
Read: Guidance for candidates on using AI Tools in interviews
