| Powder diffraction and crystal structure prediction identify four new coumarin polymorphs AG Shtukenberg, Q Zhu, DJ Carter, L Vogt, J Hoja, E Schneider, H Song, ... Chemical science 8 (7), 4926-4940, 2017 | 117 | 2017 |
| Geometry and diameter dependence of the electronic and physical properties of GaN nanowires from first principles DJ Carter, JD Gale, B Delley, C Stampfl Physical Review B 77 (11), 115349, 2008 | 106 | 2008 |
| Resorcinol Crystallization from the Melt: A New Ambient Phase and New “Riddles” Q Zhu, AG Shtukenberg, DJ Carter, TQ Yu, J Yang, M Chen, P Raiteri, ... Journal of the American Chemical Society 138 (14), 4881-4889, 2016 | 84 | 2016 |
| Electronic Structure Models of Phosphorus Delta-Doped Silicon O Warschkow, DJ Carter, NA Marks, DR McKenzie APS March Meeting Abstracts 1, 1127, 2009 | 77* | 2009 |
| Electronic structure models of phosphorus δ-doped silicon DJ Carter, O Warschkow, NA Marks, DR McKenzie Physical Review B 79 (3), 033204, 2009 | 77 | 2009 |
| Benchmarking calculated lattice parameters and energies of molecular crystals using van der Waals density functionals DJ Carter, AL Rohl Journal of Chemical Theory and Computation 10 (8), 3423-3437, 2014 | 60 | 2014 |
| Sensing sulfur-containing gases using titanium and tin decorated zigzag graphene nanoribbons from first-principles SA Tawfik, XY Cui, DJ Carter, SP Ringer, C Stampfl Physical Chemistry Chemical Physics 17 (10), 6925-6932, 2015 | 54 | 2015 |
| Phosphorus δ-doped silicon: mixed-atom pseudopotentials and dopant disorder effects DJ Carter, NA Marks, O Warschkow, DR McKenzie Nanotechnology 22 (6), 065701, 2011 | 52 | 2011 |
| Atomic and electronic structure of single and multiple vacancies in GaN nanowires from first-principles DJ Carter, C Stampfl Physical Review B 79 (19), 195302, 2009 | 42 | 2009 |
| Noncovalent Interactions in SIESTA Using the vdW-DF Functional: S22 Benchmark and Macrocyclic Structures DJ Carter, AL Rohl Journal of Chemical Theory and Computation 8 (1), 281-289, 2012 | 37 | 2012 |
| Prediction of Soai Reaction Enantioselectivity Induced by Crystals of N-(2-Thienylcarbonyl) glycine DJ Carter, AL Rohl, A Shtukenberg, S Bian, C Hu, L Baylon, B Kahr, ... Crystal Growth & Design 12 (4), 2138-2145, 2012 | 36 | 2012 |
| Controlling Mesoscale Crystal Helicity with Additives, Again B Kahr, A Shtukenberg, E Gunn, DJ Carter, AL Rohl Crystal Growth & Design 11 (6), 2070-2073, 2011 | 35 | 2011 |
| Continuously tunable band gap in GaN/AlN (0001) superlattices via built-in electric field XY Cui, DJ Carter, M Fuchs, B Delley, SH Wei, AJ Freeman, C Stampfl Physical Review B 81 (15), 155301, 2010 | 30 | 2010 |
| Bottom-up assembly of metallic germanium G Scappucci, WM Klesse, LA Yeoh, DJ Carter, O Warschkow, NA Marks, ... Scientific Reports 5, 12948:1-5, 2015 | 28 | 2015 |
| Chemical evolution via beta decay: a case study in strontium-90 NA Marks, DJ Carter, M Sassi, AL Rohl, KE Sickafus, BP Uberuaga, ... Journal of Physics: Condensed Matter 25 (6), 065504, 2013 | 28 | 2013 |
| Electronic structure of two interacting phosphorus δ-doped layers in silicon DJ Carter, O Warschkow, NA Marks, DR McKenzie Physical Review B 87 (4), 045204, 2013 | 27 | 2013 |
| Structural Correspondence of Solution, Liquid Crystal, and Crystalline Phases of the Chromonic Mesogen Sunset Yellow W Xiao, C Hu, DJ Carter, S Nichols, MD Ward, P Raiteri, AL Rohl, B Kahr Crystal Growth & Design 14 (8), 4166-4176, 2014 | 25 | 2014 |
| Valley Splitting in a Silicon Quantum Device Platform JA Miwa, O Warschkow, DJ Carter, NA Marks, F Mazzola, MY Simmons, ... Nano letters 14 (3), 1515-1519, 2014 | 25 | 2014 |
| Developing an understanding of undergraduate student interactions in chemistry laboratories J Wei, M Mocerino, DF Treagust, AD Lucey, MG Zadnik, ED Lindsay, ... Chemistry Education Research and Practice 19 (4), 1186-1198, 2018 | 23 | 2018 |
| Difference Hirshfeld fingerprint plots: a tool for studying polymorphs DJ Carter, P Raiteri, KR Barnard, R Gielink, M Mocerino, BW Skelton, ... CrystEngComm 19 (16), 2207-2215, 2017 | 23 | 2017 |
