Tech Stack

Description

Join SES AI's Molecular Universe team to perform molecular dynamics simulations of electrolyte systems for next-generation batteries. You'll run full MD workflows, analyze results, and build automated pipelines, collaborating globally to accelerate materials discovery.

Requirements

• PhD or PhD candidate in Computational Chemistry, Materials Science, or related field
• Hands-on experience with molecular dynamics simulations for liquid-phase systems
• Familiarity with GROMACS, LAMMPS, OPENMM, or similar packages
• Programming skills in Python for data analysis and workflow automation
• Professional English proficiency

Responsibilities

• Perform molecular dynamics simulations for liquid-phase electrolyte systems, including system construction and parameter setup
• Execute full MD workflow: job submission, HPC resource utilization, monitoring, troubleshooting
• Analyze simulation results: RDF, coordination numbers, diffusion coefficients, ion transport
• Build and improve automated data-processing pipelines
• Convert simulation outputs into reports, visualizations, and presentations