SandboxAQ

SandboxAQ

Senior Research Scientist, Battery Materials Simulation

United States · Senior

Sponsorship not specifiedDetected 26 days ago
PythonMachine LearningTensorFlowPyTorchSupply ChainEpicResearchLeadershipCommunicationCollaborationMentoringPublic SpeakingThermodynamics

About the role

  • We are seeking a highly skilled Senior Research Scientist in Battery Materials Simulation to join our growing team.
  • The ideal candidate will have deep expertise in applying advanced simulation techniques, including Density Functional Theory (DFT), Molecular Dynamics (MD), and machine learning (ML), to battery materials discovery and optimization.
  • Experience modeling surface chemistry, interfacial degradation mechanisms, and electrochemical reaction pathways is highly desirable.

Responsibilities

  • Develop and deploy computational workflows for high-throughput materials screening, reaction modeling, and materials optimization.
  • Lead high-fidelity data generation campaigns and develop ML force fields and surrogate models for battery materials and interfaces.

Skills

  • 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 state-of-the-art machine learning force fields and frameworks (e.g. MACE, TensorNet, NequIP, Allegro, or FairChem).
  • Experience modeling surfaces, interfaces, reaction pathways, and electrochemical systems.
  • Experience training and evaluating ML models for materials property prediction and materials discovery.
  • Experience with Bayesian optimization, active learning, and autonomous discovery workflows.
  • Strong programming skills in Python and experience with modern ML frameworks (e.g., PyTorch, TensorFlow, JAX).
  • Experience working with cloud and high-performance computing environments.
  • Demonstrated ability to independently drive complex technical projects.
  • Excellent communication and collaboration skills.

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.
  • Career Development: Direct exposure to CHIPS Act-funded programs, senior scientific and executive leadership, mentorship, and dedicated learning budgets to support continued growth.
  • Work-Life Balance: Flexible hybrid work arrangements, generous PTO, and a culture that respects focus time and recovery.
  • Flexible hybrid work arrangements, generous PTO, and a culture that respects focus time and recovery.

Company info

  • SandboxAQ is a high-growth company delivering AI solutions that address some of the world's greatest challenges.
  • The company's Large Quantitative Models (LQMs) power advances in life sciences, financial services, navigation, cybersecurity, and other sectors.
  • We are a global team that is tech-focused and includes experts in AI, chemistry, cybersecurity, physics, mathematics, medicine, engineering, and other specialties.
  • The company emerged from Alphabet Inc. as an independent, growth capital-backed company in 2022, funded by leading investors and supported by a braintrust of industry leaders.
  • At SandboxAQ, we've cultivated an environment that encourages creativity, collaboration, and impact.
  • By investing deeply in our people, we're building a thriving, global workforce poised to tackle the world's epic challenges.
  • Join us to advance your career in pursuit of an inspiring mission, in a community of like-minded people who value entrepreneurialism, ownership, and transformative impact.
  • The Batteries vertical sits at the intersection of ChemSim and AI Sim, 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 Senior Research Scientist in Battery Materials Simulation to join our growing team.
  • Collaborate with internal teams, academic collaborators, government partners, and industrial customers to deliver impactful materials innovation.
  • We are committed to fostering a culture of belonging and respect, where diverse perspectives are actively sought and valued.

Equal 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 https://www.sandboxaq.com/ai-in-interviews

Visa & Work Authorization

  • ill receive consideration regardless of race, color, ancestry, religion, sex, national origin, sexual orientation, age, citizenship, marital status, disability, gender identity, or Veteran status
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