| Structure selection based on high vertical electron affinity for TiO 2 clusters N Marom, M Kim, JR Chelikowsky Physical review letters 108 (10), 106801, 2012 | 73 | 2012 |
| CO tip functionalization in subatomic resolution atomic force microscopy M Kim, JR Chelikowsky Applied Physics Letters 107 (16), 163109, 2015 | 34 | 2015 |
| Mechanical and electronic properties of strained Ge nanowires using ab initio real-space pseudopotentials AJ Lee, M Kim, C Lena, JR Chelikowsky Physical Review B 86 (11), 115331, 2012 | 32 | 2012 |
| Complex-time shredded propagator method for large-scale calculations M Kim, GJ Martyna, S Ismail-Beigi Physical Review B 101 (3), 035139, 2020 | 30 | 2020 |
| Ab initio molecular dynamics simulations of molten Al 1− x Si x alloys KH Khoo, TL Chan, M Kim, JR Chelikowsky Physical Review B 84 (21), 214203, 2011 | 30 | 2011 |
| Openatom: Scalable ab-initio molecular dynamics with diverse capabilities N Jain, E Bohm, E Mikida, S Mandal, M Kim, P Jindal, Q Li, S Ismail-Beigi, ... International Conference on High Performance Computing, 2016 | 25 | 2016 |
| Repulsive tip tilting as the dominant mechanism for hydrogen bond-like features in atomic force microscopy imaging AJ Lee, Y Sakai, M Kim, JR Chelikowsky Applied Physics Letters 108 (19), 193102, 2016 | 25 | 2016 |
| Simulated non-contact atomic force microscopy for GaAs surfaces based on real-space pseudopotentials M Kim, JR Chelikowsky Applied Surface Science 303, 163-167, 2014 | 21 | 2014 |
| Simulating liquid and amorphous silicon dioxide using real-space pseudopotentials M Kim, KH Khoo, JR Chelikowsky Physical Review B 86 (5), 054104, 2012 | 21 | 2012 |
| Ab initio molecular dynamics simulations using a Chebyshev-filtered subspace iteration technique KH Khoo, M Kim, G Schofield, JR Chelikowsky Physical Review B 82 (6), 064201, 2010 | 20 | 2010 |
| Atomically Resolved Elucidation of the Electrochemical Covalent Molecular Grafting Mechanism of Single Layer Graphene RI Gearba, M Kim, KM Mueller, PA Veneman, K Lee, BJ Holliday, ... Advanced Materials Interfaces 3 (16), 1600196, 2016 | 17 | 2016 |
| A first-principles study of the electronic and structural properties of Sb and F doped SnO2 nanocrystals M Kim, N Marom, NS Bobbitt, JR Chelikowsky The Journal of Chemical Physics 142 (4), 044704, 2015 | 13 | 2015 |
| Scalable GW software for quasiparticle properties using OpenAtom M Kim, S Mandal, E Mikida, K Chandrasekar, E Bohm, N Jain, Q Li, ... Computer Physics Communications 244, 427-441, 2019 | 11 | 2019 |
| Frequency-informed deep-learning denoising method supporting sub-nm metrology for high NA EUV lithography M Kim, D Cerbu, S Dogru, K Sastry, G Lorusso, M Zidan, M Saib, J Severi, ... DTCO and Computational Patterning II 12495, 315-321, 2023 | 10 | 2023 |
| Real space pseudopotential calculations for size trends in Ga-and Al-doped zinc oxide nanocrystals with wurtzite and zincblende structures NS Bobbitt, N Sai, N Marom, M Kim, JR Chelikowsky The Journal of chemical physics 141 (9), 094309, 2014 | 8 | 2014 |
| Computational simulation of subatomic-resolution AFM and STM images for graphene/hexagonal boron nitride heterostructures with intercalated defects J Lee, M Kim, JR Chelikowsky, G Kim Physical Review B 94 (3), 035447, 2016 | 6 | 2016 |
James R. ChelikowskyW.A. "Tex" Moncrief, Jr. Chair of Computational Materials, University of TexasVerified email at utexas.edu
