About this role
Postdoctoral Appointee - Building Agentic AI Platform for X-ray Science at Argonne National Laboratory. Location: Lemont, Illinois, United States. Role: develop platform, integrate AI, analyze data Requirements: PhD within 5 years in computational chemistry, chemistry, materials science, physics, computational science, computer science, engineering, or related field; strong computational chemistry; experience with DFT codes; Python and ML; familiarity with LLMs and web/API development; X-ray spectroscopy knowledge preferred. Category: Research and Development (R&D) Seniority: Entry Level Tools: VASP, Quantum ESPRESSO, CP2K, ABINIT, GPAW, Gaussian, ORCA, Q-Chem, Python, PyTorch, FastAPI, Flask, numpy, pandas, scikit-learn, LLM APIs, agent frameworks, FEFF, OCEAN, FDMNES, XSpectra, Argonne-specific tools Commitment: Full Time, Contract Workplace: Onsite Languages: English