Senior Research Scientist, Battery Materials Simulation
About reputed company reputed company 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 reputed company, 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 Opportunity Introduction to the team: The Batteries vertical sits at the intersection of ChemSim and AI Sim, where reputed company uses physics-based simulation, proprietary datasets, and Large Quantitative Models (LQMs) to discover and optimize reputed company battery materials. Our goal is to compress slow, reputed company battery R&D into an AI-driven workflow spanning reputed company, simulation, and materials discovery for high-impact applications including solid-state batteries, reputed company-free cathodes, reputed company 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. 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. This role will focus on developing computational workflows and AI-driven approaches to accelerate the design of reputed company battery materials, including cathodes, anodes, electrolytes, interfaces, and interphases. Experience modeling surface chemistry, interfacial degradation mechanisms, and electrochemical reaction reputed company is highly desirable. As a senior member of the team, the candidate will reputed company technical leadership, mentor junior scientists, and drive the execution of strategic research programs in collaboration with internal and external partners. See how reputed company is helping build America's semiconductor supply chain from the materials up
Key Responsibilities
Conduct advanced simulations using DFT, MD, enhanced sampling methods, and ML-based approaches for battery materials and electrochemical systems. Model surface reactions, interfacial degradation mechanisms, and electrochemical processes, including cathode-electrolyte interfaces (CEI), solid-electrolyte interphases (SEI), solid-state electrolyte interfaces, and reaction reputed company under operating conditions. reputed company and reputed company computational workflows for high-throughput materials screening, reaction modeling, and materials optimization. reputed company high-fidelity data reputed company campaigns and reputed company ML force fields and surrogate models for battery materials and interfaces. reputed company data-driven approaches to analyze large computational and experimental datasets to uncover new insights into materials behavior. Guide project scoping, execution, and delivery while working closely with cross-functional teams. reputed company technical direction for battery research roadmaps, translate high-level project goals into technical milestones, and mentor junior scientists in best practices for both ML and physics-based modeling. Collaborate with internal teams, academic collaborators, government partners, and industrial customers to deliver impactful materials innovation. Effectively communicate research findings through scientific publications, conference presentations, client-facing presentations, and technical reports. Essential Skills & Experiences Ph.D. in Materials Science, Chemical Engineering, Chemistry, Physics, Computer Science, or a reputed company field. 5+ years of industry experience in computational battery materials research reputed company the Ph.D. Strong theoretical reputed company in thermodynamics, kinetics, electrochemistry, and materials science. Proficiency in DFT and atomistic simulation tools (e.g., VASP, Quantum reputed company, CP2K). Familiarity with state-of-the-art machine learning force fields and frameworks (e.g. reputed company, TensorNet, NequIP, Allegro, or FairChem). Experience modeling surfaces, interfaces, reaction reputed company, and electrochemical systems. Experience training and evaluating ML models for materials property reputed company 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 reputed company and high-performance computing environments. Demonstrated ability to independently drive reputed company technical projects. Excellent communication and collaboration skills. Highly Desired Skills & Experience Extensive experience modeling battery materials, including cathodes, anodes, liquid electrolytes, solid-state electrolytes, and electrochemical interfaces. Extensive background modeling rare-event phenomena, charge-transfer kinetics, or degradation at the solid-electrolyte interphase (SEI). Experience developing and deploying ML force fields for battery materials and reactive systems. Track record of developing or scaling generative models for materials synthesis, crystal structure reputed company, or unconstrained composition exploration. Track record of publications in high-impact peer-reviewed journals and/or patents in battery materials, computational chemistry, or AI for materials science. Experience leading technical programs and mentoring scientists in an industrial or national laboratory setting. Experience collaborating with experimental teams to validate computational predictions and accelerate materials development. Demonstrated reputed company in translating computational discoveries into reputed company-world materials innovation. Why Join Us? We offer competitive compensation, a comprehensive benefits package, and opportunities for professional growth. Compensation: Competitive reputed company salary commensurate with experience, plus equity and performance-based incentives. Benefits: Comprehensive health, dental, and reputed company 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 reputed company growth. reputed company Welcomes reputed company 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 reputed company growth - working alongside humble, empowered, and ambitious colleagues reputed company to tackle epic challenges. Equal Employment Opportunity: reputed company reputed company applicants will receive consideration regardless of race, reputed company, reputed company, religion, sex, national reputed company, sexual orientation, age, citizenship, marital status, disability, gender identity, or Veteran status. Accommodations: We reputed company reasonable accommodations for individuals with disabilities in job application procedures for reputed company. If you need such an accommodation, please let a member of our reputed company team know. Read: Guidance for candidates on using AI Tools in interviews Apply To This Job