James J.P. Stewart is a distinguished computational chemist renowned for his pioneering contributions to quantum chemistry software development. He currently serves as CEO of Stewart Computational Chemistry, which he founded in 1990 to advance computational chemistry methodologies and tools. His academic credentials include a DSc, PhD, and BSc, along with professional certification as a Chartered Chemist, reflecting his deep expertise in chemical sciences. Stewart began his influential work in Michael Dewar's research group at the University of Texas at Austin in 1980 as a visiting professor before transitioning to the United States Air Force Academy in 1984, where he continued developing foundational computational chemistry approaches that would transform the field.
Dr. Stewart's most significant achievement is the creation and continuous development of MOPAC (Molecular Orbital PACkage), a semiempirical quantum chemistry computer program first deposited in the Quantum Chemistry Program Exchange in 1983 as QCPE Program #455. His seminal 1989 Journal of Computational Chemistry paper on parameter optimization for semiempirical methods established critical benchmarks that enhanced computational accuracy in molecular modeling worldwide. MOPAC has evolved through multiple generations including MOPAC2009 and MOPAC2012 with advanced methods like PM7 and PM7-TS, becoming an indispensable tool for researchers across academia and industry. The software's impact enables complex molecular simulations that inform drug discovery, materials science, and chemical research while dramatically reducing computational resource requirements compared to ab initio methods.
Beyond his technical innovations, Dr. Stewart has profoundly shaped computational chemistry through decades of dedicated software stewardship and methodological refinement. His strategic decision to transition MOPAC to open-source software on GitHub through the Molecular Sciences Software Institute in 2022 ensures continued community-driven development while preserving scientific integrity. As the long-time leader of Stewart Computational Chemistry, Stewart maintains an exceptional commitment to advancing computational tools from their early QCPE distribution to modern open-source frameworks. He continues to guide the evolution of quantum chemistry software with a vision of making sophisticated computational methods more accessible and powerful, cementing his legacy as a foundational figure whose work enables researchers worldwide to explore molecular phenomena with unprecedented efficiency.
