Dr. Theresa Windus joined the faculty at Iowa State University in August 2006 as a full Professor. She earned her Ph.D. from Iowa State University in 1993 and did post-doctoral research at Northwestern University. Theresa was also the Director of Computational Chemistry/Training at Ohio Supercomputer Center and the Computational chemistry lead at the Wright Patterson Air Force Base Major Shared Resource Center. Before joining Iowa State University, she was the manager of the Molecular Science Software Group and the Visualization and User Services group in the Molecular Science Computing Facility in the Environmental Molecular Sciences Laboratory of Pacific Northwest National Laboratory.
Quantum Mechanics Basics and Applications in Developing Heavy Element Extractants
ParFit: A Python-Based Object-Oriented Program for Fitting Molecular Mechanics Parameters to ab Initio Data
Federico Zahariev* , Nuwan De Silva, Mark S. Gordon , Theresa L. Windus , and Marilu Dick-Perez
J. Chem. Inf. Model., 2017, 57 (3), pp 391–396
Computer-Aided Molecular Design of Bis-phosphine Oxide Lanthanide Extractants
Billy W. McCann†, Nuwan De Silva‡, Theresa L. Windus‡, Mark S. Gordon‡, Bruce A. Moyer†, Vyacheslav S. Bryantsev*†, and Benjamin P. Hay
Inorg. Chem., 2016, 55 (12), pp 5787–5803