Postdoc: ML-Driven Molecular Dynamics for Materials

Sandia National Laboratories; New Mexico; On-site; USD 85,000 - 115,000; Full time

Benefits offered by this job

Relocation assistance

Affordable housing options

Minimal traffic congestion

Job summary

Sandia National Laboratories in Albuquerque, NM, seeks a Postdoctoral Appointee specializing in machine learning, molecular dynamics, and computational materials science to advance solvent-based separation systems. You will design and analyze nanoscale simulations and collaborate with chemists and experimentalists on structure–property relationships.

The role requires a PhD in a related field, strong publication record, and the ability to work onsite.

Qualifications

• PhD in a relevant field (materials science, chemistry, physics, engineering, or data science)
• Demonstrated experience applying ML models to datasets
• Experience with molecular dynamics simulations or ML-enhanced simulations

Responsibilities

• Design, perform, and analyze molecular-scale simulations of nanoporous and liquid-phase materials
• Leverage ML tools to study structure–property relationships from experimental and modeling data
• Collaborate with experimentalists and chemists in a multidisciplinary environment
• Publish research manuscripts and present at conferences

Skills

Machine learning

Molecular dynamics

Computational materials science

Python

Education

PhD

Tools

MD simulation packages

Job description

Sandia National Laboratories in Albuquerque, NM, seeks a Postdoctoral Appointee specializing in machine learning, molecular dynamics, and computational materials science to advance solvent-based separation systems. You will design and analyze nanoscale simulations and collaborate with chemists and experimentalists on structure–property relationships.

The role requires a PhD in a related field, strong publication record, and the ability to work onsite.