Tech Stack

Description

You will support computational modeling and simulation of advanced electrolyte systems using molecular dynamics, gain training and mentorship, and collaborate across global teams to accelerate battery materials discovery.

Requirements

• PhD or PhD candidate in Computational Chemistry, Materials Science, or related field
• Hands-on experience with molecular dynamics simulations, especially for liquid-phase systems
• Familiarity with simulation tools such as GROMACS, LAMMPS, or OPENMM
• Experience with electrolyte systems or battery-related simulations strongly preferred
• Programming skills in Python for data analysis and workflow automation

Responsibilities

• Perform molecular dynamics simulations for liquid-phase electrolyte systems, including system construction, parameter setup, and job execution
• Analyze simulation results for structural, dynamic, and thermodynamic properties
• Build and improve automated data-processing pipelines
• Convert simulation outputs into reports, visualizations, and presentations
• Collaborate to improve workflow robustness and reproducibility