The area of concentration is research that integrates theoretical organic chemistry with molecular modeling and design, high-performance computing (HPC), and potentially artificial intelligence (AI)-driven approaches to advance molecular design, elucidate reaction mechanisms, or address related challenges in organic, physical organic, organometallic, bioorganic, or medicinal chemistry. Demonstrated expertise in computational chemistry by a minimum 2 years of experience using major computational chemistry software packages (e.g., Gaussian, ORCA, NWChem Q-Chem, or Amber) or peer-reviewed publications in computational chemistry where the candidate served as lead or primary contributor.