Research Associate, Atomistic Simulations & AI-Driven Molecular Modeling

Job description

Requisition Id 16218 ­­Overview: The Multiscale Biomedical Systems Group within the Advanced Computing in Health (ACH) section of the Computational Sciences and Engineering Division (CSED) at Oak Ridge National Laboratory (ORNL) seeks a motivated Research Professional. This position primarily focuses on large-scale molecular dynamics (MD) simulations and AI-integrated multiscale modeling of complex biosystems. The successful candidate will also contribute to efforts that bridge molecular, cellular, and systems-level modeling, with growing relevance to emerging paradigms such as whole-cell modeling and networked biological systems. You will work at the intersection of high-performance computing (HPC), computational biophysics, and machine learning, leveraging leadership-class computing resources and collaborating across ORNL, federal agencies, and academic partners. Key Responsibilities: - Develop and apply scalable molecular dynamics (MD) and multiscale simulation workflows for biomolecular systems (proteins, enzymes, membranes, and complexes) - Integrate AI/ML approaches with physics-based simulations to accelerate discovery and improve predictive fidelity - Contribute to cross-sc...