Research Scientist in Materials Simulation

Job Summary

Seeking a full-time Research Scientist in Materials Simulation to work remotely, focusing on advanced simulations using Density Functional Theory (DFT) and Molecular Dynamics (MD) to optimize next-generation battery materials and develop AI-driven workflows for materials discovery.

Key Responsibilities

• Conduct advanced simulations for solid-state materials, predicting properties and analyzing interfacial degradation reactions
• Employ data-driven approaches to analyze large datasets from computational simulations and experiments
• Collaborate with multi-disciplinary teams to prototype and scale impactful materials design solutions

Required Qualifications

• Ph.D. in Materials Science, Chemical Engineering, Chemistry, Computer Science, or a related field preferred
• 3+ years of hands-on experience in modeling complex solid-state battery materials
• Proficiency in DFT and MD simulation software (e.g., VASP, Quantum ESPRESSO, LAMMPS)
• Experience with AI models for chemistry and material discovery using deep learning frameworks
• Proven ability to benchmark domain-specific AI models for materials discovery