| Origin of pronounced nonlinear band gap behavior in lead–tin hybrid perovskite alloys A Goyal, S McKechnie, D Pashov, W Tumas, M Van Schilfgaarde, ... Chemistry of Materials 30 (11), 3920-3928, 2018 | 189 | 2018 |
| A computational framework for automation of point defect calculations A Goyal, P Gorai, H Peng, S Lany, V Stevanović Computational Materials Science 130, 1-9, 2017 | 174 | 2017 |
| Insights into operational stability and processing of halide perovskite active layers LT Schelhas, Z Li, JA Christians, A Goyal, P Kairys, SP Harvey, DH Kim, ... Energy & Environmental Science 12 (4), 1341-1348, 2019 | 147 | 2019 |
| Capturing anharmonicity in a lattice thermal conductivity model for high-throughput predictions SA Miller, P Gorai, BR Ortiz, A Goyal, D Gao, SA Barnett, TO Mason, ... Chemistry of Materials 29 (6), 2494-2501, 2017 | 108 | 2017 |
| A data fusion approach to optimize compositional stability of halide perovskites S Sun, A Tiihonen, F Oviedo, Z Liu, J Thapa, Y Zhao, NTP Hartono, ... Matter 4 (4), 1305-1322, 2021 | 103 | 2021 |
| First-principles calculation of intrinsic defect chemistry and self-doping in PbTe A Goyal, P Gorai, ES Toberer, V Stevanović npj Computational Materials 3 (1), 42, 2017 | 90 | 2017 |
| Nanoindentation of gold and gold alloys by molecular dynamics simulation Y Li, A Goyal, A Chernatynskiy, JS Jayashankar, MC Kautzky, SB Sinnott, ... Materials Science and Engineering: A 651, 346-357, 2016 | 64 | 2016 |
| The importance of phase equilibrium for doping efficiency: iodine doped PbTe J Male, MT Agne, A Goyal, S Anand, IT Witting, V Stevanović, GJ Snyder Materials Horizons 6 (7), 1444-1453, 2019 | 52 | 2019 |
| On the dopability of semiconductors and governing material properties A Goyal, P Gorai, S Anand, ES Toberer, GJ Snyder, V Stevanovic Chemistry of Materials 32 (11), 4467-4480, 2020 | 43 | 2020 |
| A simple chemical guide for finding novel n-type dopable Zintl pnictide thermoelectric materials P Gorai, A Goyal, ES Toberer, V Stevanović Journal of materials chemistry A 7 (33), 19385-19395, 2019 | 36 | 2019 |
| Impact of homogeneous strain on uranium vacancy diffusion in uranium dioxide A Goyal, SR Phillpot, G Subramanian, DA Andersson, CR Stanek, ... Physical Review B 91 (9), 094103, 2015 | 34 | 2015 |
| Charge optimized many-body potential for aluminum K Choudhary, T Liang, A Chernatynskiy, Z Lu, A Goyal, SR Phillpot, ... Journal of Physics: Condensed Matter 27 (1), 015003, 2014 | 28 | 2014 |
| Computational Fermi level engineering and doping-type conversion of Mg: Ga2O3 via three-step synthesis process A Goyal, A Zakutayev, V Stevanović, S Lany Journal of Applied Physics 129 (24), 2021 | 19 | 2021 |
| Metastable rocksalt ZnO is -type dopable A Goyal, V Stevanović Physical Review Materials 2 (8), 084603, 2018 | 19 | 2018 |
| The influence of alloying on the stacking fault energy of gold from density functional theory calculations A Goyal, Y Li, A Chernatynskiy, JS Jayashankar, MC Kautzky, SB Sinnott, ... Computational Materials Science 188, 110236, 2021 | 14 | 2021 |
| The Conundrum of Relaxation Volumes in First-Principles Calculations of Charged Defects in UO2 A Goyal, K Mathew, RG Hennig, A Chernatynskiy, CR Stanek, ST Murphy, ... Applied Sciences 9 (24), 5276, 2019 | 14 | 2019 |
| Segregation of ruthenium to edge dislocations in uranium dioxide A Goyal, T Rudzik, B Deng, M Hong, A Chernatynskiy, SB Sinnott, ... Journal of nuclear materials 441 (1-3), 96-102, 2013 | 13 | 2013 |
| Defect graph neural networks for materials discovery in high-temperature clean-energy applications MD Witman, A Goyal, T Ogitsu, AH McDaniel, S Lany Nature Computational Science 3 (8), 675-686, 2023 | 8 | 2023 |
| Formation of 6H-Ba3Ce0.75Mn2.25O9 during Thermochemical Reduction of 12R-Ba4CeMn3O12: Identification of a Polytype in the Ba(Ce,Mn)O3 Family NA Strange, JE Park, A Goyal, RT Bell, JA Trindell, JD Sugar, KH Stone, ... Inorganic Chemistry 61 (16), 6128-6137, 2022 | 7 | 2022 |
| Report on simulation of fission gas and fission product diffusion in UO2 AD Andersson, RT Perriot, G Pastore, MR Tonks, MW Cooper, XY Liu, ... Los Alamos National Lab.(LANL), Los Alamos, NM (United States), 2016 | 5 | 2016 |
Vladan StevanovicColorado School of MinesVerified email at mines.edu
