| Multiscale simulations of electron and ion dynamics in self-irradiated silicon CW Lee, JA Stewart, R Dingreville, SM Foiles, A Schleife Physical Review B 102 (2), 024107, 2020 | 55 | 2020 |
| Solid-State Divalent Ion Conduction in ZnPS3 AJ Martinolich, CW Lee, IT Lu, SC Bevilacqua, MB Preefer, M Bernardi, ... Chemistry of Materials 31 (10), 3652-3661, 2019 | 38 | 2019 |
| Real-time exciton dynamics with time-dependent density-functional theory J Sun, CW Lee, A Kononov, A Schleife, CA Ullrich Physical review letters 127 (7), 077401, 2021 | 23 | 2021 |
| Electronic stopping and proton dynamics in InP, GaP, and In0.5Ga0.5P from first principles CW Lee, A Schleife The European Physical Journal B 91 (10), 222, 2018 | 23 | 2018 |
| Pushing the frontiers of modeling excited electronic states and dynamics to accelerate materials engineering and design K Kang, A Kononov, CW Lee, JA Leveillee, EP Shapera, X Zhang, ... Computational Materials Science 160, 207-216, 2019 | 22 | 2019 |
| Hot-Electron-Mediated Ion Diffusion in Semiconductors for Ion-Beam Nanostructuring CW Lee, A Schleife Nano letters 19 (6), 3939-3947, 2019 | 19 | 2019 |
| Electron dynamics in extended systems within real-time time-dependent density-functional theory A Kononov, CW Lee, TP dos Santos, B Robinson, Y Yao, Y Yao, ... MRS Communications 12 (6), 1002-1014, 2022 | 17 | 2022 |
| Energetics of neutral Si dopants in InGaAs: An ab initio and semiempirical Tersoff model study CW Lee, B Lukose, MO Thompson, P Clancy Physical Review B 91 (9), 094108, 2015 | 15 | 2015 |
| Identifying native point defect configurations in α-alumina A Kononov, CW Lee, EP Shapera, A Schleife Journal of Physics: Condensed Matter 35 (33), 334002, 2023 | 8 | 2023 |
| Computational Identification of Ternary Wide-Band-Gap Oxides for High-Power Electronics EM Garrity, CW Lee, P Gorai, MB Tellekamp, A Zakutayev, V Stevanović PRX Energy 1 (3), 033006, 2022 | 7 | 2022 |
| Transition metal impurities in silicon: computational search for a semiconductor qubit CW Lee, M Singh, AC Tamboli, V Stevanović npj Computational Materials 8 (1), 1-11, 2022 | 4 | 2022 |
| Impact of computational curricular reform on non-participating undergraduate courses: Student and faculty perspective CW Lee, A Schleife, DR Trinkle, JA Krogstad, R Maass, P Bellon, ... 2019 ASEE Annual Conference & Exposition, 2019 | 4 | 2019 |
| AlScO3 perovskite—An∼ 8 eV bandgap oxide predicted to exhibit low small hole polaron ionization energies and p-type conductivity at elevated temperatures CW Lee, P Gorai, E Garrity, A Zakutayev, V Stevanović Applied Physics Letters 121 (10), 2022 | 3 | 2022 |
| Defect Chemistry and Doping of Lead Phosphate Oxo Apatite Pb10(PO4)6O MY Toriyama, CW Lee, GJ Snyder, P Gorai ACS Energy Letters 9 (2), 428-431, 2024 | 2 | 2024 |
| Switching it Up: New Mechanisms Revealed in Wurtzite-type Ferroelectrics CW Lee, K Yazawa, A Zakutayev, GL Brennecka, P Gorai | 2 | 2023 |
| Computational insights into phase equilibria between wide-gap semiconductors and contact materials CW Lee, A Zakutayev, V Stevanović ACS Applied Electronic Materials, 2023 | 2 | 2023 |
| Ternary Wide Band Gap Oxides for High-Power Electronics Identified Computationally EMD Garrity, CW Lee, P Gorai, B Tellekamp, A Zakutayev, V Stevanović arXiv preprint arXiv:2204.09158, 2022 | 2 | 2022 |
| Accelerating Electronic Stopping Power Predictions by 10 Million Times with a Combination of Time-Dependent Density Functional Theory and Machine Learning L Ward, B Blaiszik, CW Lee, T Martin, I Foster, A Schleife arXiv preprint arXiv:2311.00787, 2023 | 1 | 2023 |
| Emerging materials and design principles for wurtzite-type ferroelectrics CW Lee, NU Din, K Yazawa, GL Brennecka, A Zakutayev, P Gorai Matter, 2023 | 1 | 2023 |
| Defect Control Strategies for Al (1-x) Gd (x) N Alloys NU Din, CW Lee, K Yazawa, W Nemeth, RW Smaha, NM Haegel, P Gorai | 1 | 2023 |
Dr. rer. nat. André SchleifeUniversity of Illinois at Urbana-ChampaignVerified email at illinois.edu
