High-throughput electronic band structure calculations: Challenges and tools W Setyawan, S Curtarolo Computational materials science 49 (2), 299-312, 2010 | 1650 | 2010 |
AFLOW: An automatic framework for high-throughput materials discovery S Curtarolo, W Setyawan, GLW Hart, M Jahnatek, RV Chepulskii, ... Computational Materials Science 58, 218-226, 2012 | 1241 | 2012 |
AFLOWLIB. ORG: A distributed materials properties repository from high-throughput ab initio calculations S Curtarolo, W Setyawan, S Wang, J Xue, K Yang, RH Taylor, LJ Nelson, ... Computational Materials Science 58, 227-235, 2012 | 1104 | 2012 |
Large-scale assembly of carbon nanotubes SG Rao, L Huang, W Setyawan, S Hong Nature 425 (6953), 36-37, 2003 | 646 | 2003 |
Recent progress in R&D on tungsten alloys for divertor structural and plasma facing materials S Wurster, N Baluc, M Battabyal, T Crosby, J Du, C García-Rosales, ... Journal of nuclear materials 442 (1-3), S181-S189, 2013 | 335 | 2013 |
A search model for topological insulators with high-throughput robustness descriptors K Yang, W Setyawan, S Wang, M Buongiorno Nardelli, S Curtarolo Nature materials 11 (7), 614-619, 2012 | 317 | 2012 |
High-throughput combinatorial database of electronic band structures for inorganic scintillator materials W Setyawan, RM Gaume, S Lam, RS Feigelson, S Curtarolo ACS combinatorial science 13 (4), 382-390, 2011 | 269 | 2011 |
Assessing the thermoelectric properties of sintered compounds via high-throughput ab-initio calculations S Wang, Z Wang, W Setyawan, N Mingo, S Curtarolo Phys. Rev. X 1 (2), 021012, 2011 | 231 | 2011 |
Displacement cascades and defects annealing in tungsten, Part I: Defect database from molecular dynamics simulations W Setyawan, G Nandipati, KJ Roche, HL Heinisch, BD Wirth, RJ Kurtz Journal of Nuclear Materials 462, 329-337, 2015 | 134 | 2015 |
Theoretical study of the thermal behavior of free and alumina-supported Fe-C nanoparticles A Jiang, N Awasthi, AN Kolmogorov, W Setyawan, A Börjesson, K Bolton, ... Physical Review B 75 (20), 205426, 2007 | 119 | 2007 |
Multifaceted modularity: a key for stepwise building of hierarchical complexity in actinide metal–organic frameworks EA Dolgopolova, OA Ejegbavwo, CR Martin, MD Smith, W Setyawan, ... Journal of the American Chemical Society 139 (46), 16852-16861, 2017 | 116 | 2017 |
Effects of transition metals on the grain boundary cohesion in tungsten W Setyawan, RJ Kurtz Scripta Materialia 66 (8), 558-561, 2012 | 96 | 2012 |
Reduced carbon solubility in Fe nano-clusters and implications for the growth of single-walled carbon nanotubes AR Harutyunyan, N Awasthi, A Jiang, W Setyawan, E Mora, T Tokune, ... arXiv preprint arXiv:0803.3191, 2008 | 96 | 2008 |
Comparative study of nonproportionality and electronic band structures features in scintillator materials W Setyawan, RM Gaume, RS Feigelson, S Curtarolo IEEE Transactions on Nuclear Science 56 (5), 2989 - 2996, 2009 | 85 | 2009 |
Grain boundary phases in bcc metals T Frolov, W Setyawan, RJ Kurtz, J Marian, AR Oganov, RE Rudd, Q Zhu Nanoscale 10 (17), 8253-8268, 2018 | 82 | 2018 |
Formation mechanism of gas bubble superlattice in UMo metal fuels: Phase-field modeling investigation S Hu, DE Burkes, CA Lavender, DJ Senor, W Setyawan, Z Xu Journal of Nuclear Materials 479, 202-215, 2016 | 67 | 2016 |
Cascade morphology transition in bcc metals W Setyawan, AP Selby, N Juslin, RE Stoller, BD Wirth, RJ Kurtz Journal of Physics: Condensed Matter 27 (22), 225402, 2015 | 52 | 2015 |
Evolution of topological order in Xe films on a quasicrystal surface S Curtarolo, W Setyawan, N Ferralis, RD Diehl, MW Cole Physical review letters 95 (13), 136104, 2005 | 51 | 2005 |
Perspectives on multiscale modelling and experiments to accelerate materials development for fusion MR Gilbert, K Arakawa, Z Bergstrom, MJ Caturla, SL Dudarev, F Gao, ... Journal of Nuclear Materials 554, 153113, 2021 | 50 | 2021 |
Ab initio study of interstitial cluster interaction with Re, Os, and Ta in W W Setyawan, G Nandipati, RJ Kurtz Journal of Nuclear Materials 484, 30-41, 2017 | 47 | 2017 |