Dan Gezelter
Chair, Department Of Chemistry And Biochemistry at University of Notre Dame
Notre Dame, Indiana, United States
Summary
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Senior🎓
Top SchoolDan Gezelter is a theoretical chemist and academic leader with over two decades of experience studying molecular dynamics at complex interfaces and directing chemistry education. As Chair and Professor in the Department of Chemistry and Biochemistry at the University of Notre Dame, he blends administrative leadership with a long track record of research and teaching. He is the lead developer of the OpenMD molecular dynamics engine and the original creator of Jmol, a widely used molecular visualization tool that has influenced how researchers and educators interact with structural data. His work sits at the intersection of computational chemistry, statistical mechanics, and nanotechnology, with a strong commitment to open-source scientific software. Trained at UC Berkeley, Cambridge, and Duke, he combines deep theoretical rigor with practical tool-building that makes advanced methods accessible to the broader community. Beyond publications and leadership roles, his career reflects a consistent focus on translating complex physical chemistry into robust, user-focused computational tools.
22 years of coding experience
29 years of employment as a software developer
PhD, Chemistry, PhD, Chemistry at University of California, BerkeleyB.S., Chemistry, Philosophy, B.S., Chemistry, Philosophy at Duke UniversityCPS, Natural Sciences (Chemistry), CPS, Natural Sciences (Chemistry) at University of Cambridge
Github Skills (7)
simulation10
python10
dynamics10
journal5
open-access5
creative-commons4
academia4
Programming languages (1)
Github contributions (5)
OpenMD/OpenMD-docs
May 2008 - Jul 2019
Contributions:30 commits, 32 pushes, 4 branches in 11 years 4 months
GezelterLab/xyz2pov
Jul 2003 - Mar 2015
Contributions:7 commits, 2 pushes, 1 branch in 11 years 10 months
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