China Computational Chemistry Intern Materials Modeling Molecular Simulation
SESRemote
Internship
Posted March 19, 2026
Energy Storage
Remote
Apply Now
Application opens on company website
Job Description
This internship involves supporting computational modeling and molecular dynamics simulations of electrolyte systems relevant to next-generation batteries, with opportunities to contribute to workflow automation, data analysis, and materials discovery in a collaborative, AI-driven environment.
Key Responsibilities
- Support computational modeling and simulation of advanced electrolyte systems
- Perform molecular dynamics simulations for liquid-phase systems, including system construction and parameter setup
- Execute and monitor MD workflows using HPC resources, troubleshooting as needed
- Analyze simulation results to determine structural, dynamic, and thermodynamic properties
- Develop and improve automated data-processing pipelines for simulations
- Convert simulation outputs into reports, visualizations, and presentations
- Collaborate with teams to enhance workflow robustness and reproducibility
Requirements
- PhD or PhD candidate in Computational Chemistry, Materials Science, Chemical Engineering, Physical Chemistry, or a related field
- Hands-on experience with molecular dynamics simulations, particularly for liquid-phase systems
- Familiarity with common simulation tools such as GROMACS, LAMMPS, OPENMM, or similar packages
- Experience with electrolyte systems, ionic systems, battery-related simulations, or sodium-ion systems is strongly preferred
- Understanding of molecular force fields, including basic principles of force field development and parameterization; direct experience is preferred
- Programming skills in Python or similar languages for data analysis, workflow automation, and simulation pipeline development
- Strong problem-solving skills and the ability to diagnose simulation instability, convergence issues, and physical inconsistencies
- Excellent communication skills, with the ability to clearly present technical findings to both technical and non-technical audiences
- Ability to work effectively in a collaborative, international research environment
- Professional English proficiency is required; candidates must speak English fluently and be able to conduct professional work in English, including technical discussions, documentation, and presentations
Benefits & Perks
Work on real, high-impact problems in next-generation battery materials discovery
Contribute to production-relevant simulation workflows rather than isolated academic projects
Gain exposure to the intersection of molecular simulation, automation, AI for Science, and materials innovation
Collaborate with a global team across simulation, machine learning, and experimental validation
Ready to Apply?
Join SES and make an impact in renewable energy
Stay Updated on Sustainability Jobs
Get the latest renewable energy jobs and career tips delivered to your inbox.
Job Alerts
Get notified about new sustainability jobs
More at SES
More jobs at SES
US Computational Chemistry Intern Materials Modeling Molecular Simulation
SES
Remote
Internship
3d
US Computational Chemistry Intern Materials Modeling Molecular Simulation
SES
Remote
Internship
3d
South Korea Computational Chemistry Intern Materials Modeling Molecular Simulation
SES
Not specified
Internship
3d
More jobs in Remote
Engineering Manager (Australia)
Omnidian
NEW
Remote
Full Time
2d
Solutions Engineer
Affinity
NEW
VISA
Remote
Full Time
2d
Account Executive, Enterprise Frankfurt
Pure Storage
Remote
Full Time
3d