Job Description
A Senior Computational Materials Scientist will develop and run large-scale molecular simulations related to battery materials, particularly solid electrolyte interphase modeling, and contribute to the advancement of AI-accelerated materials discovery platforms.
Key Responsibilities
- Design and execute large-scale quantum chemistry and molecular dynamics simulations.
- Develop and refine interatomic potentials and force fields for electrolyte systems.
- Create and improve tools for investigating SEI formation, including chemical reaction networks and atomistic simulations.
- Calculate molecular properties such as HOMO, LUMO, ESP, thermodynamics, and kinetics.
- Automate high-throughput simulations using Python, HPC schedulers, and distributed computing.
- Integrate new simulation capabilities into the Molecular Universe platform via APIs or Python packages.
Requirements
- PhD in Materials Science, Chemistry, Chemical Engineering, Physics, or related field.
- 5 years of post-PhD experience in computational chemistry, materials, academic or industry.
- Hands-on expertise with molecular simulation tools such as GROMACS, LAMMPS, Gaussian, VASP, Quantum Espresso, ADF, GPU4PySCF, or equivalent.
- Strong coding skills in Python, including scientific stack NumPy, ASE, PySCF, etc., and experience with developing research-grade code.
- Familiarity with high-throughput computation and large-scale data analysis on HPC or GPU clusters.
Benefits & Perks
Base pay range between 150,000 and 250,000
Company paid Health and Dental insurance
Ability to add dependents to insurance
Global travel insurance for business travel
Company sponsored retirement plan with 100% vesting and up to 5% match
Life and AD&D Insurance
Employee Assistance Program
Six paid holidays and one floating holiday per quarter (4 per year)
10 accrued vacation days per year, increasing with tenure
Bonus and equity compensation based on position and eligibility
Ready to Apply?
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