Onsite Postdoc: ML & Molecular Dynamics for Materials

Sandia National Laboratories; Albuquerque (NM); On-site; USD 90,000 - 111,000; Full time

Benefits offered by this job

Affordable housing

Relocation assistance

Onsite work benefits

Job summary

Sandia National Laboratories invites applications for a postdoctoral appointee focusing on machine learning and molecular dynamics in the context of solvent-based separation systems. The role emphasizes collaboration with synthetic chemists to derive fundamental insights from simulations and data.

The position requires a PhD in a relevant field, experience with ML and MD, and the ability to publish results. It is onsite in Albuquerque, NM, with a competitive salary and DOE-related eligibility.

Qualifications

• PhD in materials science and engineering, chemistry, chemical engineering, physics, applied mathematics, computer science, data science, or other relevant field.
• Demonstrated experience building, evaluating, and applying ML models to datasets.
• Experience with molecular dynamics simulations and integration of ML with simulation tools.
• Strong record of technical accomplishments and written communication in peer-reviewed publications.

Responsibilities

• Design, perform, and analyze molecular-scale simulations of nanoporous and/or liquid phase materials.
• Leverage ML tools to analyze structure–property relationships from experiments and modeling data.
• Collaborate with experimental and synthetic chemists in a multi-disciplinary team.
• Write research manuscripts and present at technical conferences and program meetings.

Skills

Machine learning

Molecular dynamics

Computational materials science

Python

Education

PhD in a relevant field

Tools

Python-based data science tools

Job description

Sandia National Laboratories invites applications for a postdoctoral appointee focusing on machine learning and molecular dynamics in the context of solvent-based separation systems. The role emphasizes collaboration with synthetic chemists to derive fundamental insights from simulations and data.

The position requires a PhD in a relevant field, experience with ML and MD, and the ability to publish results. It is onsite in Albuquerque, NM, with a competitive salary and DOE-related eligibility.