<B> People </B>


Principal Investigator

Hrant P. Hratchian, a Michigan native, obtained his B.S. degree in chemistry from Eastern Michigan University (Ypsilanti, MI) and completed doctoral studies under the tutelage of Professor H. Bernhard Schlegel at Wayne State University (Detroit, MI) where he was an NSF-IGERT Graduate Fellow. From 2005-2008 he was the Ernest R. Davidson Postdoctoral Fellow at Indiana University (Bloomington, IN), where he worked with Professor Krishnan Raghavachari. From 2008-2013, he was a Research Scientist at Gaussian, Inc. (Wallingford, CT). Since 2013, he has been Assistant Professor of Chemistry and Chemical Biology at the University of California, Merced. Prof. Hratchian’s research interests include the development and application of efficient computational chemistry methods to explore the unique properties of transition metal catalyzed processes.

CV (as of Jul 12, 2017)

Postdoctoral Researcher

Lee M. Thompson is a postdoctoral researcher at the University of California, Merced in the group of Professor Hrant P. Hratchian. Originally from the United Kingdom, he obtained his Masters degree from the University of Southampton before moving to the group of Dr. Michael J. Bearpark at Imperial College London for his doctorate. Completed in 2013, the focus of his doctoral work was the study of vibrational modes, excited state reaction pathways and surface crossings of systems in complex environments. This was achieved through development and application of the ONIOM hybrid computational method. His current research interests are in the study of spin contamination in double hybrid DFT calculations with a view to computing on-the-fly dynamics of transition metal catalyzed reactions.

Graduate Students

Xianghai Sheng is a Ph.D. candidate at the University of California, Merced. He obtained his B.S. in chemistry at Fudan University in Shanghai. He worked on using Approximate Projection to treat spin contamination in transition metal systems and found that applying AP greatly improved exchange coupling constant prediction for spin-contaminated systems with minimal additional cost. His current research interest is developing predictive yet affordable computational methods for studying various reaction mechanism.

Samantha Bidwell is a Ph.D. student at the University of California, Merced. She obtained a B.S. in chemistry at Grand Valley State University in 2015.

Hassan Harb is a Ph.D. student at the University of California, Merced. He earned an M.S. in chemistry from the American University of Beirut in 2015. Hassan is working on studying the electronic structures of lanthanide di- and triatomics and exploring new trends in these clusters.

Ali Abou Taka is a first year Ph.D. student at the University of California, Merced. He obtained his B.S. in chemistry at the Lebanese American University and his M.S. in chemistry at the American University of Beirut. He is now working on correcting the delocalization errors in DFT calculations for different systems.

Undergraduate Students

Susana Calderon

Sheyda Partovi

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