Postdoc: AI-Driven X-ray Spectroscopy & ML Workflows

Argonne National Laboratory; United States; On-site; USD 72,879 - 121,465; Full time

Job summary

Argonne National Laboratory is seeking a highly motivated Postdoctoral Researcher to join the X-ray Science Division. The successful candidate will develop an AI-enabled platform for X-ray absorption spectroscopy and work with a multidisciplinary team to advance AI tools for scientific discovery.

This position is expected to last two years, with responsibilities including integrating scientific workflows and collaborating on leading-edge research in computational chemistry.

Qualifications

• Recent PhD (within 5 years) in computational chemistry, materials science, physics, or related.
• Hands-on experience with DFT or electronic-structure codes.
• Strong domain knowledge in materials science or chemistry.

Responsibilities

• Develop AI-enabled platforms for X-ray absorption spectroscopy.
• Work on a multidisciplinary team for scientific discovery.
• Integrate workflows involving scientific machine learning.

Skills

Computational chemistry expertise

Strong Python skills

Experience with DFT codes

Knowledge of electronic-structure theory

Experience with machine learning frameworks

Education

PhD in a relevant field

Tools

VASP

Quantum ESPRESSO

PyTorch

Job description

Argonne National Laboratory is seeking a highly motivated Postdoctoral Researcher to join the X-ray Science Division. The successful candidate will develop an AI-enabled platform for X-ray absorption spectroscopy and work with a multidisciplinary team to advance AI tools for scientific discovery.

This position is expected to last two years, with responsibilities including integrating scientific workflows and collaborating on leading-edge research in computational chemistry.