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
67 2012 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
31 2012 CO tip functionalization in subatomic resolution atomic force microscopy M Kim, JR Chelikowsky
Applied Physics Letters 107 (16), 163109, 2015
28 2015 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
26 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
22 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
22 2016 Complex-time shredded propagator method for large-scale M Kim, GJ Martyna, S Ismail-Beigi
Physical Review B 101 (3), 035139, 2020
21 2020 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 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
19 2014 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
14 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
9 2019 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 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
3 2023 
James R. ChelikowskyW.A. "Tex" Moncrief, Jr. Chair of Computational Materials, University of TexasAdresse e-mail validée de utexas.edu
