Zurek, Eva - University at Buffalo, the State University of New York

个人简介

B.Sc. University of Calgary, Canada (2000) B.Sc. University of Calary, Canada (2002) Ph.D. University of Stuttgart, Germany (2006) Research Fellow, Max Planck Institute for Solid State Research (2006-2007) Research Fellow, Cornell University (2008-2009) Awards and Honors: IMPRS-AM (International Max Planck Research School for Advanced Materials) Fellowship (2002-2006) 2013 Alfred P. Sloan Research Fellow TMS Young Leader Professional Development Award (2014) UB Exceptional Scholar Award (Young Investigator Award, 2014)

研究领域

The research in my group focuses on studying the electronic and geometrical structures, properties, and reactivity of molecules, nanosystems, interfaces and solids – whether they be inorganic or organic – using the computational approaches of quantum chemistry, and solid state physics (band structure methods).

近期论文

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Hooper, J.; Terpstra, T.; Shamp, A.; Zurek, E. “The Composition and Constitution of Compressed Strontium Polyhydrides”, Phys. Chem. C, 2014, 118, 6433-6447, doi:10.1021/jp4125342. Kunkel, D. A.; Hooper, J.; Simpson, S.; Beniwal, S.; Morrow, K. L.; Smith, D. C.; Cousins, K.; Ducharme, S.; Zurek, E.; Enders, A. “Rhodizonic Acid on Noble Metals: Surface Reactivity and Coordination Chemistry”, Phys. Chem. Lett., 2013, 4, 3413-3419, doi:10.1021/jz4016124 Hanwell, M. D.; Curtis, D. E.; Lonie, D.; Vandermeersch, T.; Zurek, E.; Hutchison, G. R. “Avogadro: An Advanced Semantic Chemical Editor, Visualization, and Analysis Platform”, Cheminformatics, 2012, 4, 1-17, doi:10.1186/1758-2946-4-17. Shamp, A.; Hooper, J.; Zurek, E. “Compressed Cesium Polyhydrides: Cs+ Sublattices and H3- Three-Connected Nets”, Chem., 2012, 51, 9333-9342, doi:10.1021/ic301045v. Suen, N. T.; Hooper, J.; Zurek, E.; Bobev, S. “On the Nature of Ge-Pb Bonding in the Solid State. Synthesis, Structural Characterization, and Electronic Structures of Two Unprecedented Germanide-Plumbides”, Am. Chem. Soc., 2012, 134, 12708-12716, doi:10.1021/ja3042838. Hooper, J.; Zurek, E. “Rubidium Polyhydrides Under Pressure: Emergence of the Linear H3- Anion”, Chemistry – A European Journal, 2012, 18, 5013-5021, doi:10.1002/chem.201103205. Simpson, S.; Kunkel, D. A.; Hooper, J.; Nitz, J.; Dowben, P. A.; Routaboul, L.; Braunstein, P.; Doudin, B.; Enders, A.; Zurek, E. “Coverage-Dependent Interactions at the Organics-Metal Interface: Quinonoid Zwitterions on Au(111)”, J. Phys. Chem. C, 2013, 117, 16406-16415, doi:10.1021/jp403384h. Jewell, A.; Simpson, S.; Enders, A.; Zurek, E.; Sykes, C. “Magic Electret Clusters of 4-Fluorostyrene on Metal Surfaces”, Phys. Chem. Lett., 2012, 3, 2069-2075, doi:10.1021/jz3006783. Baettig, P.; Zurek, E. “Pressure-Stabilized Sodium Polyhydrides: NaHn (n>1)”, Rev. Lett., 2011, 106, 237002, doi:10.1103/PhysRevLett.106.237002. Lonie, D.; Zurek, E. “XtalOpt: An Open-Source Evolutionary Algorithm for Crystal Structure Prediction”, Phys. Comm., 2011, 182, 372-387, doi:10.1016/j.cpc.2010.048.