个人简介
Education
Ph.D, University of California, Berkeley, 1995
B.S., Chemical Engineering, Iowa State University, 1987
Biography
Engineer, Procter and Gamble (1987-1990)
Assistant Professor, University of Notre Dame (1995-2000)
Associate Professor, University of Notre Dame (2000-2005)
Professor, University of Notre Dame (2005-present)
Associate Dean for Academic Programs, Notre Dame Graduate School (2009-2012)
Chair, Department of Chemical and Biomolecular Engineering (2012-present)
Dorini Family Professor of Energy Studies (2013-present)
研究领域
Molecular modeling
Ionic liquids
Actinides
Thermodynamics
近期论文
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Xiaohui Qu, Anubhav Jain, Nav Nidhi Rajput, Lei Cheng, Yong Zhang, Shyue Ping Ong, Miriam Brafman, Edward Maginn, Larry A. Curtiss, Kristin A. Persson, “The Electrolyte Genome project: A big data approach in battery materials discovery”, Computational Materials Science, 2015, 103, 56-67.
Yong Zhang, Akihito Otani, and Edward J. Maginn, “Reliable Viscosity Calculation from Equilibrium Molecular Dynamics Simulations: A Time Decomposition Method”, Journal of Chemical Theory and Computation, 2015, 11, 3537-3546. DOI: 10.1021/acs.jctc.5b00351.
Samir Budhathoki, Jindal K. Shah and Edward J. Maginn, “Molecular Simulation Study of the Solubility, Diffusivity and Permselectivity of Pure and Binary Mixtures of CO2 and CH4 in the Ionic Liquid 1-n-Butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide”, Industrial and Engineering Chemistry Research, 2015, 54, 8821–8828 doi: 10.1021/acs.iecr.5b02500.
Yong Zhang, Lianjie Xue, Fardin Khabaz, Rose Doerfler, Edward L. Quitevis, Rajesh Khare, and Edward J. Maginn, “Molecular Topology and Local Dynamics Govern the Viscosity of Imidazolium-Based Ionic Liquids”, Journal of Physical Chemistry B, 2015, 119, 14934-14944.
Marta L. S. Batista, Germán Pérez-Sánchez, José R. B. Gomes, Jo?o A. P. Coutinho and Edward J. Maginn, “Evaluation of the GROMOS 56ACARBO Force Field for the Calculation of Structural, Volumetric, and Dynamic Properties of Aqueous Glucose Systems”, Journal of Physical Chemistry B, 2015, 119, 15310-15319 DOI: 10.1021/acs.jpcb.5b08155.
Eliseo Marin-Rimoldi, Jindal K. Shah and Edward J. Maginn, “Monte Carlo simulations of water solubility in ionic liquids: A force field assessment”, Fluid Phase Equilibria, 2016, 407, 117-125. doi:10.1016/j.fluid.2015.07.007.
Brian Yoo, Benxin Jing, Stuart E. Jones, Gary A. Lamberti, Yingxi Zhu, Jindal K. Shah and Edward J. Maginn, "Molecular mechanisms of ionic liquid cytotoxicity probed by an integrated experimental and computational approach". Scientific Reports 2016, 6, 19889; doi: 10.1038/srep19889.
Akihito Otani, Yong Zhang, Tatsuya Matsuki, Eiji Kamio, Hideto Matsuyama and Edward J. Maginn, “Molecular Design of High CO2 Reactivity and Low Viscosity Ionic Liquids for CO2 Separative Facilitated Transport Membranes”, Industrial and Engineering Chemistry Research, 2016. 55, 2821–2830. DOI: 10.1021/acs.iecr.6b00188.
Akash Sharma, Yong Zhang Thomas Gohndrone, Seungmin Oh, Joan F. Brennecke, Mark J. McCready, Edward J. Maginn “How Mixing Tetraglyme with the Ionic Liquid 1-n-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide Changes Volumetric and Transport Properties: An Experimental and Computational Study”, Chemical Engineering Science, in press. 2016. DOI:10.1016/j.ces.2016.05.006
Othonas A. Moultos, Yong Zhang, Ioannis N. Tsimpanagiannis, Ioannis G. Economou, and Edward J. Maginn, “System-size corrections for self-diffusion coefficiients calculated from molecular dynamics simulations: The case of CO2, n-alkanes, and poly(ethylene glycol) dimethyl ethers”, Journal of Chemical Physics, 2016, 145, 074109.
Marta L. S. Batista, Helena Passos, Bruno J. M. Henriques, Edward J. Maginn, Sim?o P. Pinho, Mara G. Freire, José R. B. Gomes and Jo?o A. P. Coutinho, “Why are some cyano-based ionic liquids better glucose solvents than water?”, Physical Chemistry Chemical Physics, 2016, 18, 18958-18970. DOI: 10.1039/c6cp02538b
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