Tech Stack

Description

You will work on developing and applying ReaxFF reactive force fields for battery materials, accelerating the discovery of next-generation electrolytes and interfaces. This role sits at the intersection of AI and material science, directly contributing to a high-impact energy transition project.

Requirements

• PhD in Chemistry, Materials Science, or related field
• Strong experience with ReaxFF or reactive force field development
• Proficiency in molecular dynamics software (e.g., LAMMPS, GROMACS)
• Familiarity with machine learning techniques for force field development
• Excellent problem-solving and communication skills

Responsibilities

• Develop and parameterize ReaxFF reactive force fields for battery materials
• Perform molecular dynamics simulations to study electrolyte decomposition and SEI formation
• Collaborate with experimental teams to validate and refine force field predictions
• Integrate machine learning approaches to accelerate force field development
• Analyze simulation data to guide material discovery and optimization