| Avogadro: an advanced semantic chemical editor, visualization, and analysis platform MD Hanwell, DE Curtis, DC Lonie, T Vandermeersch, E Zurek, ... Journal of cheminformatics 4 (1), 17, 2012 | 11898 | 2012 |
| XtalOpt: An open-source evolutionary algorithm for crystal structure prediction DC Lonie, E Zurek Computer Physics Communications 182 (2), 372-387, 2011 | 431 | 2011 |
| A little bit of lithium does a lot for hydrogen E Zurek, R Hoffmann, NW Ashcroft, AR Oganov, AO Lyakhov Proceedings of the National Academy of Sciences 106 (42), 17640-17643, 2009 | 347 | 2009 |
| Synthesis of yttrium superhydride superconductor with a transition temperature up to 262 K by catalytic hydrogenation at high pressures E Snider, N Dasenbrock-Gammon, R McBride, X Wang, N Meyers, ... arXiv preprint arXiv:2012.13627, 2020 | 313 | 2020 |
| The 2021 room-temperature superconductivity roadmap B Lilia, R Hennig, P Hirschfeld, G Profeta, A Sanna, E Zurek, WE Pickett, ... Journal of Physics: Condensed Matter 34 (18), 183002, 2022 | 294 | 2022 |
| Chemistry under high pressure M Miao, Y Sun, E Zurek, H Lin Nature Reviews Chemistry 4 (10), 508-527, 2020 | 247 | 2020 |
| Theoretical studies of the structure and function of MAO (methylaluminoxane) E Zurek, T Ziegler Progress in polymer science 29 (2), 107-148, 2004 | 246 | 2004 |
| Graphene-like boron–carbon–nitrogen monolayers S Beniwal, J Hooper, DP Miller, PS Costa, G Chen, SY Liu, PA Dowben, ... ACS nano 11 (3), 2486-2493, 2017 | 220 | 2017 |
| A molecular perspective on lithium–ammonia solutions E Zurek, PP Edwards, R Hoffmann Angewandte Chemie International Edition 48 (44), 8198-8232, 2009 | 209 | 2009 |
| High-temperature superconductivity in alkaline and rare earth polyhydrides at high pressure: A theoretical perspective E Zurek, T Bi The Journal of chemical physics 150 (5), 2019 | 190 | 2019 |
| Disordered enthalpy–entropy descriptor for high-entropy ceramics discovery S Divilov, H Eckert, D Hicks, C Oses, C Toher, R Friedrich, M Esters, ... Nature 625 (7993), 66-73, 2024 | 182 | 2024 |
| Density functional calculations of the 13C NMR chemical shifts in (9, 0) single-walled carbon nanotubes E Zurek, J Autschbach Journal of the American Chemical Society 126 (40), 13079-13088, 2004 | 181 | 2004 |
| Route to high- superconductivity via -intercalated hydride perovskites W Cui, T Bi, J Shi, Y Li, H Liu, E Zurek, RJ Hemley Physical Review B 101 (13), 134504, 2020 | 166 | 2020 |
| Predicting crystal structures and properties of matter under extreme conditions via quantum mechanics: the pressure is on E Zurek, W Grochala Physical Chemistry Chemical Physics 17 (5), 2917-2934, 2015 | 148 | 2015 |
| Metallization of magnesium polyhydrides under pressure DC Lonie, J Hooper, B Altintas, E Zurek Physical Review B—Condensed Matter and Materials Physics 87 (5), 054107, 2013 | 148 | 2013 |
| Pressure-Stabilized Sodium Polyhydrides: () P Baettig, E Zurek Physical Review Letters 106 (23), 237002, 2011 | 136 | 2011 |
| AFLOW-ML: A RESTful API for machine-learning predictions of materials properties E Gossett, C Toher, C Oses, O Isayev, F Legrain, F Rose, E Zurek, ... Computational Materials Science 152, 134-145, 2018 | 125 | 2018 |
| Predicting superhard materials via a machine learning informed evolutionary structure search P Avery, X Wang, C Oses, E Gossett, DM Proserpio, C Toher, S Curtarolo, ... npj Computational Materials 5 (1), 89, 2019 | 124 | 2019 |
| Decomposition Products of Phosphine Under Pressure: PH2 Stable and Superconducting? A Shamp, T Terpstra, T Bi, Z Falls, P Avery, E Zurek Journal of the American Chemical Society 138 (6), 1884-1892, 2016 | 123 | 2016 |
| Modeling the Dynamic Equilibrium between Oligomers of (AlOCH3)n in Methylaluminoxane (MAO). A Theoretical Study Based on a Combined Quantum … E Zurek, TK Woo, TK Firman, T Ziegler Inorganic Chemistry 40 (2), 361-370, 2001 | 122 | 2001 |
David LonieState University at New York, BuffaloVerified email at buffalo.edu
