Gianmarc Grazioli

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Assistant Professor of Computational Chemistry

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Ph.D. Chemistry, University of California, Irvine

Postdoctoral Researcher, University of California, Irvine (Calit2 and Dept. of Chemistry)

Postdoctoral Researcher, University of California, San Diego 

M.S. Chemistry, Villanova University

B.S. Comprehensive Science (an interdisciplinary science track), Villanova University

B.A. Science Communication, Villanova University 


My research developing computational methods that use molecular simulations and machine learning to study chemistry and biophysics has been published in a variety of journals across disciplines, including the Journal of Chemical Information and Modeling, Nature Structural and Molecular Biology, the Journal of Chemical Physics, the Journal of Physical Chemistry, and the SIAM Journal on Applied Mathematics. In addition to my research experience, I also have 3 years of management experience at the Merck Pharmaceutical Testing Lab, and have taught a wide variety of subjects ranging from Computers in Chemistry (101), to Physical Chemistry (160), to Science Communication for Chemists (100W), to guitar. For a more comprehensive description of my research, teaching, and service interests, please visit


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Google Scholar profile: Scholar Profile

My science outreach YouTube channel: Shredded Science

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