Postdoctoral Research Associate - Scientific Validation of Quantum Simulations

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We are seeking a Postdoctoral Research Associate to advance the scientific validation of quantum simulations for quantum materials. This work directly supports the five-year mission of the ORNL Quantum Science Center (QSC) to establish a quantum-accelerated computing ecosystem for scientific applications. The successful candidate will develop, test, and evaluate the scientific applications by comparing results from quantum simulations directly with experimental measurements and classical simulations of quantum materials.

This work will include benchmarking simulations by using reliable classical reference calculations and extending toward more challenging regimes. As part of our team, you will work closely with ORNL staff and external collaborators in quantum computing, condensed-matter physics, neutron scattering, applied mathematics, and scientific computing.

This position resides within the Quantum Sensing and Computing Group in the Computational Sciences and Engineering Division (CSED), Computing and Computational Sciences Directorate (CCSD) at Oak Ridge National Laboratory (ORNL).

• Lead the development, testing, and application of rigorous approaches for the evaluation and validation of quantum simulations of quantum materials, including realistic treatment of uncertatinty and systematic error across experimental, classical computing, and quantum computing workflows.
• Extend the methodology to early fault-tolerant quantum simulations and, ultimately, to classically intractable regimes, establishing the rigorous evidence needed to support credible claims of quantum advantage.
• Develop and apply physics-informed AI/ML and digital-twin capabilities to improve modeling, parameter inference, uncertainty assessment, and adaptive feedback between experiments, classical simulations, and quantum simulations.
• Collaborate with ORNL staff scientists and external collaborators.
• Write peer-reviewed scientific articles and present research findings at major scientific conferences.
• Deliver ORNL’s mission by aligning behaviors, priorities, and interactions with our core values of Impact, Integrity, Teamwork, Safety, and Service.

• A Ph.D. degree in Physics, Applied Mathematics, Computer Science, Electrical Engineering, or a related discipline.
• Familiarity with quantum computing and/or digital quantum simulation theory and practice.
• Familiarity with quantum and classical programming languages and scientific computing.

We welcome candidates with strengths in several of the following areas; no single candidate is expected to bring expertise in all of them:

• Experience developing or implementing quantum algorithms for Hamiltonian simulation.
• Background in quantum materials or quantum many-body physics, particularly quantum magnetism and strongly correlated systems, as well as classical methods such as exact diagonalization, tensor networks or DMRG, and quantum Monte Carlo.
• Familiarity with inelastic neutron scattering, thermal transport, or related experimental probes, including the effects of instrumental resolution, data reduction, and observable reconstruction.
• Experience with uncertainty quantification, covariance modeling, sensitivity and robustness analysis, Bayesian inference, inverse problems, parameter estimation, or model validation.
• Experience or strong interest in scientific AI/ML, including surrogate or multi-fidelity modeling, digital twins, generative models, adaptive optimization, or autonomous experiment-simulation workflows.
• Excellent written and oral communication skills.
• Motivated self-starter with the ability to work independently and to participate creatively in collaborative teams across the laboratory.
• Ability to function well in a fast-paced research environment, set priorities to accomplish multiple tasks within deadlines, and adapt to ever changing needs.

Applicants cannot have received their Ph.D. more than five years prior to the date of application and must complete all degree…