Tech Stack

Description

You will contribute to the SES Molecular Universe project by conducting molecular dynamics simulations of advanced electrolyte systems for next-generation batteries. You will perform full MD workflows, analyze structural and dynamic properties, and build automated data-processing pipelines to support scientific decision-making.

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 simulation tools
• Experience with electrolyte systems or battery-related simulations preferred
• Programming skills in Python for data analysis and workflow automation

Responsibilities

• Contribute to computational chemistry modeling and simulation of advanced electrolyte systems
• Perform molecular dynamics simulations for liquid-phase systems
• Execute full MD workflow (job submission, monitoring, troubleshooting)
• Analyze simulation results (structural, dynamic, thermodynamic properties)
• Build automated data-processing pipelines for efficiency and scalability