SES AI · 1 month ago
Computational Chemist – ReaxFF
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. The role involves specializing in physics-based simulation, utilizing reactive force-field development and MD/DFT coupling to drive materials discovery through computational rigor.
BatteryElectric VehicleEnergy StorageManufacturingRenewable Energy
Responsibilities
Develop and apply advanced simulation techniques, specializing in Reactive Force Fields (ReaxFF) and MD/DFT coupling, to model complex materials phenomena
Conduct and analyze multi-scale computation projects, covering atomistic simulation up to mesoscale modeling
Utilize and maintain advanced simulation tools, including VASP, LAMMPS, GROMACS, and CP2K, for high-fidelity simulations
Perform rigorous physics-based validation on all simulation outputs to ensure accuracy and reliability
Generate and validate high-quality atomistic and mesoscale datasets used for training ML potential and other scientific AI models
Develop advanced simulation workflows and contribute to the creation of ML potentials and AI-driven materials discovery tools
Apply strong coding skills (e.g., Python, C++, FORTRAN) to automate complex simulation workflows and enhance computational efficiency
Maintain a solid understanding of battery chemistry modeling and collaborate effectively across computational and experimental teams
Qualification
Required
Ph.D. in Computational Chemistry of Energy Materials, Materials Science, or Computational Physics
Deep, demonstrated expertise in advanced physics-based simulation, including proficiency with DFT, MD, and Quantum Mechanics (QM) simulation tools
Proven experience with Reactive Force Fields (ReaxFF) and methods for MD/DFT coupling
Strong coding ability in languages such as Python, C++, or FORTRAN, and deep practical experience with simulation codes like VASP, LAMMPS, GROMACS, or CP2K
Solid understanding of battery chemistry modeling and experience in generating and validating atomistic and mesoscale data
Preferred
Experience with Neural Networks and Deep Learning, particularly in applying them to develop ML potential. Familiarity with geometric deep learning libraries like PyTorch Geometric is a plus
Experience with specialized methods like the Materials-Point Method
Experience with experimental literacy, understanding characterization methods such as SEM, TEM, XPS, Raman, EIS, NMR, DSC, or TGA
Previous experience at advanced simulation labs, battery multiscale modeling groups, or in the computational chemistry of energy materials
Benefits
Comprehensive health coverage
An 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
2026-01-23
2026-01-17
Washington Technology
2026-01-16
Company data provided by crunchbase