Location: Oak Ridge, TN
Cap-Exempt H-1B Position — No lottery required
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-scale modeling frameworks linking molecular interactions to cellular and network-level behavior (e.g. protein-protein interaction, PPI, network analysis) - Optimize simulation codes and workflows for leadership-class HPC architectures - Collaborate across interdisciplinary teams spanning biology, chemistry, computer science, and applied mathematics - Publish findings in high-impact journals and present at leading conferences **Required Qualifications:** - Ph.D. (within 0–5 years) in computational bioscience, computational biophysics, computer science, or a related field - Strong programming skills in C++, Python, or similar scientific computing languages - Extensive experience with MD simulation tools such as NAMD, GROMACS, AMBER, or LAMMPS, and visualization tools (e.g., VMD, PyMOL)