SES AI · 1 day ago
Computational Materials Scientist
Greater Boston (Woburn, MA) – On-site/Hybrid
Full-time
Hybrid
Senior LevelSES AI Corp. is dedicated to accelerating the world’s energy transition through groundbreaking material discovery and advanced battery management. They are seeking a Computational Materials Scientist to combine physics-based simulation with AI-assisted material prediction to advance the understanding of electrochemical energy materials at the atomic level.
BatteryElectric VehicleEnergy StorageManufacturingRenewable Energy
Responsibilities
Conduct and oversee DFT (Density Functional Theory), MD (Molecular Dynamics), and QM (Quantum Mechanics) simulations of battery components, including electrolytes, coatings, and electrodes
Develop and refine ML-enhanced force fields and surrogate models to accelerate simulation time scales and enable multi-scale simulation efforts
Apply expertise in atomistic simulation and quantum modeling to solve key challenges in electrochemical energy materials (e.g., batteries/fuel cells)
Generate high-quality, structured simulation data to serve as training sets for AI property prediction models and material screening modules
Contribute to the development of battery domain LLM features and advanced property-prediction models
Automate complex simulation workflows using strong coding practices to enhance efficiency and scalability
Collaborate with experimental teams, leveraging a hybrid computational + experimental literacy to validate models and drive design iteration
Utilize advanced simulation tools (VASP, Quantum Espresso) and data science libraries (TensorFlow, Pandas) to manage and analyze large datasets
Qualification
Required
Ph.D. in Mechanical Engineering, Materials Science, Chemical Engineering, or a closely related computational/physics field
Deep and extensive experience in atomistic simulation and quantum modeling, including proficiency with key QM/DFT tools (VASP, Quantum Espresso) and MD simulations
Strong background in electrochemical energy materials and extensive computational work focused on batteries/fuel cells
Strong coding skills in Python (along with related libraries like Pandas and TensorFlow) for simulation workflow automation and data analysis
Experience in developing or utilizing ML-enhanced force fields and surrogate models for materials prediction, or equivalent practical experience
Preferred
Experience in developing battery domain LLM features or property-prediction models
Demonstrated experience working in a hybrid computational + experimental environment
Familiarity with additional data analysis tools like R, SQL, MATLAB, and time-series forecasting libraries like Prophet
Previous experience at national laboratories, XtalPi, Entalpic, or deep battery modeling groups
Benefits
Comprehensive health coverage
Attractive equity/stock options program
Company
SES AI
SES AI Corp.
Founded in 2012
201-500 employees
H1B Sponsorship
SES AI has a track record of offering H1B sponsorships. Please note that this does not
guarantee sponsorship for this specific role. Below presents additional info for your
reference. (Data Powered by US Department of Labor)
Distribution of Different Job Fields Receiving Sponsorship
Represents job field similar to this job
Trends of Total Sponsorships
2025 (5)
2024 (6)
2023 (4)
2022 (3)
2021 (3)
2020 (4)
Funding
Current Stage
Public CompanyTotal Funding
$600.11MKey Investors
Honda MotorHyundai Motor CompanyGeneral Motors
2022-02-04Post Ipo Equity· $275M
2022-02-04IPO
2021-07-05Corporate Round· $100M
Leadership Team
Qichao Hu
Founder & CEO
Kyle Pilkington
Chief Legal Officer
Recent News
Satellite Today
2025-12-27
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2025-12-18
Company data provided by crunchbase