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Battery Modeling Engineer - AI for Materials

Yesterday Cupertino, CA

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Description

This position will drive the discovery, design, and optimization of advanced battery materials using Artificial Intelligence/Machine Learning (AI/ML), including Generative AI (GenAI) techniques, and first-principles computational methods (MD/DFT). You will leverage a deep understanding of battery chemistry and physics to accelerate materials innovation for next-generation power solutions. You will work closely with internal multi-functional teams, including materials scientists, experimentalists, and cell engineers, to integrate computational insights with experimental validation to develop cutting-edge battery technologies.","responsibilities":"Develop and implement AI/ML and GenAI models to predict material performance, metrics, and long-term stability based on structural, chemical, and processing parameters, and to propose novel material compositions or structures.

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Applying AI/ML techniques (e.g., machine learning, deep learning, statistical modeling, and Generative AI methods) to accelerate the discovery, design, and optimization of novel battery materials (e.g., cathodes, anodes, electrolytes, separators).

Utilize atomistic simulation methods (e.g., Molecular Dynamics (MD), Density Functional Theory (DFT)) to understand fundamental material properties, reaction mechanisms, and degradation pathways at the atomic/molecular level.

Integrate computational materials science workflows with experimental data from material synthesis, characterization, and cell testing.

Collaborate closely with experimental materials scientists to design targeted experiments, validate computational predictions, and guide material synthesis efforts.

Work with battery engineers to translate material-level insights into improved cell performance, lifetime, and safety, often by informing and collaborating on multi-physics models.

Manage and analyze large datasets of material properties, experimental results, and simulation outputs.

Travel to external vendors, suppliers, and manufacturing facilities is expected.

Preferred Qualifications

Four or more years of experience applying AI/ML, Generative AI, computational chemistry, or computational materials science in the field of battery materials or related energy storage systems.

Deep understanding of battery electrochemistry, fundamental materials science, and degradation mechanisms for lithium-ion or other advanced battery chemistries.

Proficiency with AI/ML frameworks and libraries (e.g., TensorFlow, PyTorch, scikit-learn), with specific experience or strong understanding of Generative AI models (e.g., GANs, VAEs, Diffusion Models, Large Language Models for materials), and data analysis tools (e.g., Pandas, NumPy).

Hands-on experience with atomistic simulation software (e.g., VASP, LAMMPS, Quantum Espresso, Materials Studio) for MD/DFT calculations. Familiarity with materials informatics databases and tools (e.g., Materials Project, OQMD).

Experience managing and analyzing large datasets from simulations and experiments.

Ability to translate complex computational results into actionable insights for experimentalists and engineers.

Strong understanding of multi-physics modeling concepts and their application in electrochemical systems for battery design, performance prediction, and degradation analysis.

Minimum Qualifications

BS degree in Material Science, Chemical, Chemistry, Physics, Computer Science and or related

Experience with applying AI/ML techniques; machine learning, deep learning, statistical modeling, Generative AI methods or related

Experience programming skills in languages such as Python or related

Apple is an equal opportunity employer that is committed to inclusion and diversity. We seek to promote equal opportunity for all applicants without regard to race, color, religion, sex, sexual orientation, gender identity, national origin, disability, Veteran status, or other legally protected characteristics. Learn more about your EEO rights as an applicant .

Pay & Benefits

At Apple, base pay is one part of our total compensation package and is determined within a range. This provides the opportunity to progress as you grow and develop within a role. The base pay range for this role is between $147,400 and $272,100, and your base pay will depend on your skills, qualifications, experience, and location.

Apple employees also have the opportunity to become an Apple shareholder through participation in Apple's discretionary employee stock programs. Apple employees are eligible for discretionary restricted stock unit awards, and can purchase Apple stock at a discount if voluntarily participating in Apple's Employee Stock Purchase Plan. You'll also receive benefits including: Comprehensive medical and dental coverage, retirement benefits, a range of discounted products and free services, and for formal education related to advancing your career at Apple, reimbursement for certain educational expenses - including tuition. Additionally, this role might be eligible for discretionary bonuses or commission payments as well as relocation. Learn more about Apple Benefits.

Note: Apple benefit, compensation and employee stock programs are subject to eligibility requirements and other terms of the applicable plan or program.

Client-provided location(s): Cupertino, CA
Job ID: apple-200648552-0836_rxr-661
Employment Type: OTHER
Posted: 2026-03-06T19:43:56

Perks and Benefits

  • Health and Wellness

    • Parental Benefits

      • Work Flexibility

        • Office Life and Perks

          • Vacation and Time Off

            • Financial and Retirement

              • Professional Development

                • Diversity and Inclusion

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