| FireWorks: A dynamic workflow system designed for high‐throughput applications A Jain, SP Ong, W Chen, B Medasani, X Qu, M Kocher, M Brafman, ... Concurrency and Computation: Practice and Experience 27 (17), 5037-5059, 2015 | 589 | 2015 |
| Accelerating electrolyte discovery for energy storage with high-throughput screening L Cheng, RS Assary, X Qu, A Jain, SP Ong, NN Rajput, K Persson, ... The journal of physical chemistry letters 6 (2), 283-291, 2015 | 365 | 2015 |
| The coupling between stability and ion pair formation in magnesium electrolytes from first-principles quantum mechanics and classical molecular dynamics NN Rajput, X Qu, N Sa, AK Burrell, KA Persson Journal of the American Chemical Society 137 (9), 3411-3420, 2015 | 332 | 2015 |
| Three-Dimensional Growth of Li2S in Lithium–Sulfur Batteries Promoted by a Redox Mediator LCH Gerber, PD Frischmann, FY Fan, SE Doris, X Qu, AM Scheuermann, ... Nano letters 16 (1), 549-554, 2016 | 231 | 2016 |
| Origin of electrochemical, structural, and transport properties in nonaqueous zinc electrolytes SD Han, NN Rajput, X Qu, B Pan, M He, MS Ferrandon, C Liao, ... ACS applied materials & interfaces 8 (5), 3021-3031, 2016 | 226 | 2016 |
| The Electrolyte Genome project: A big data approach in battery materials discovery X Qu, A Jain, NN Rajput, L Cheng, Y Zhang, SP Ong, M Brafman, ... Computational Materials Science 103, 56-67, 2015 | 212 | 2015 |
| Evaluation of sulfur spinel compounds for multivalent battery cathode applications M Liu, A Jain, Z Rong, X Qu, P Canepa, R Malik, G Ceder, KA Persson Energy & Environmental Science 9 (10), 3201-3209, 2016 | 156 | 2016 |
| Solvation structure and energetics of electrolytes for multivalent energy storage SH Lapidus, NN Rajput, X Qu, KW Chapman, KA Persson, PJ Chupas Physical Chemistry Chemical Physics 16 (40), 21941-21945, 2014 | 154 | 2014 |
| Elucidating solvation structures for rational design of multivalent electrolytes—a review NN Rajput, TJ Seguin, BM Wood, X Qu, KA Persson Modeling Electrochemical Energy Storage at the Atomic Scale, 79-124, 2018 | 117 | 2018 |
| Mechanistic and kinetic studies on the homogeneous gas-phase formation of PCDD/Fs from 2, 4, 5-trichlorophenol X Qu, H Wang, Q Zhang, X Shi, F Xu, W Wang Environmental science & technology 43 (11), 4068-4075, 2009 | 95 | 2009 |
| Supramolecular perylene bisimide-polysulfide gel networks as nanostructured redox mediators in dissolved polysulfide lithium–sulfur batteries PD Frischmann, LCH Gerber, SE Doris, EY Tsai, FY Fan, X Qu, A Jain, ... Chemistry of Materials 27 (19), 6765-6770, 2015 | 92 | 2015 |
| A quantum mechanical study on the formation of PCDD/Fs from 2-chlorophenol as precursor Q Zhang, S Li, X Qu, X Shi, W Wang Environmental science & technology 42 (19), 7301-7308, 2008 | 92 | 2008 |
| Kinetic Properties for the Complete Series Reactions of Chlorophenols with OH Radicals Relevance for Dioxin Formation F Xu, H Wang, Q Zhang, R Zhang, X Qu, W Wang Environmental science & technology 44 (4), 1399-1404, 2010 | 85 | 2010 |
| A big data approach to the ultra-fast prediction of DFT-calculated bond energies X Qu, DARS Latino, J Aires-de-Sousa Journal of cheminformatics 5, 1-13, 2013 | 74 | 2013 |
| Mechanism and thermal rate constants for the complete series reactions of chlorophenols with H Q Zhang, X Qu, H Wang, F Xu, X Shi, W Wang Environmental science & technology 43 (11), 4105-4112, 2009 | 71 | 2009 |
| Mechanism of OH-initiated atmospheric photooxidation of dichlorvos: a quantum mechanical study Q Zhang, X Qu, W Wang Environmental science & technology 41 (17), 6109-6116, 2007 | 53 | 2007 |
| Mechanism for OH-initiated photooxidation of naphthalene in the presence of O2 and NOx: A DFT study X Qu, Q Zhang, W Wang Chemical physics letters 429 (1-3), 77-85, 2006 | 47 | 2006 |
| Materials genomics screens for adaptive ion transport behavior by redox-switchable microporous polymer membranes in lithium–sulfur batteries AL Ward, SE Doris, L Li, MA Hughes Jr, X Qu, KA Persson, BA Helms ACS central science 3 (5), 399-406, 2017 | 45 | 2017 |
| Group additivity-Pourbaix diagrams advocate thermodynamically stable nanoscale clusters in aqueous environments LA Wills, X Qu, IY Chang, TJL Mustard, DA Keszler, KA Persson, ... Nature communications 8 (1), 15852, 2017 | 38 | 2017 |
| Computational design of new magnesium electrolytes with improved properties X Qu, Y Zhang, NN Rajput, A Jain, E Maginn, KA Persson The Journal of Physical Chemistry C 121 (30), 16126-16136, 2017 | 36 | 2017 |
Kristin Aslaug Persson (nee Einarsdott...Department of Materials Science and Engineering, UC BerkeleyBestätigte E-Mail-Adresse bei berkeley.edu