Senior Research Scientist, Battery Materials Simulation

This is a fully remote position, open to applicants in United States.

📋 Description

• Perform advanced simulations utilizing DFT, MD, enhanced sampling techniques, and machine learning-based methods.

• Model surface reactions, mechanisms of interfacial degradation, and processes related to electrochemistry.

• Create and implement computational workflows for high-throughput materials screening, reaction modeling, and optimization of materials.

• Spearhead high-fidelity data generation initiatives.

⛳️ Requirements

• Ph.D. in Materials Science, Chemical Engineering, Chemistry, Physics, Computer Science, or a related discipline.

• Over 5 years of professional experience in computational research of battery materials post-Ph.D.

• Strong theoretical understanding of thermodynamics, kinetics, electrochemistry, and materials science.

• Expertise in DFT and atomistic simulation software (e.g., VASP, Quantum ESPRESSO, CP2K).

• Knowledge of machine learning force fields and frameworks (e.g., MACE, TensorNet, NequIP, Allegro, or FairChem).

• Experience in modeling surfaces, interfaces, reaction pathways, and electrochemical systems.

• Proficient programming skills in Python and familiarity with contemporary ML frameworks (e.g., PyTorch, TensorFlow, JAX).

• Experience with cloud computing and high-performance computing environments.

• Proven track record of independently leading intricate technical projects.

🏝️ Benefits

• Comprehensive health, dental, and vision insurance.

• 401(k) plan with company matching.

• Generous parental leave policy.

• Flexible hybrid work arrangements.

• Generous paid time off.

• Opportunities for career development.

• Direct involvement with CHIPS Act-funded initiatives.