H. Shaun Kwak
Title
Cited by
Cited by
Year
First-principles study of confinement effects on the Raman spectra of Si nanocrystals
KH Khoo, AT Zayak, H Kwak, JR Chelikowsky
Physical review letters 105 (11), 115504, 2010
642010
Development of a ReaxFF Reactive Force Field for Fe/Cr/O/S and Application to Oxidation of Butane over a Pyrite-Covered Cr2O3 Catalyst
YK Shin, H Kwak, AV Vasenkov, D Sengupta, ACT Van Duin
Acs Catalysis 5 (12), 7226-7236, 2015
562015
Development and validation of a ReaxFF reactive force field for Fe/Al/Ni alloys: Molecular dynamics study of elastic constants, diffusion, and segregation
YK Shin, H Kwak, C Zou, AV Vasenkov, ACT Van Duin
The Journal of Physical Chemistry A 116 (49), 12163-12174, 2012
532012
Estimation of charge carrier mobility in amorphous organic materials using percolation corrected random-walk model
DR Evans, HS Kwak, DJ Giesen, A Goldberg, MD Halls, M Oh-e
Organic Electronics 29, 50-56, 2016
342016
Multifaceted peptide assisted one-pot synthesis of gold nanoparticles for plectin-1 targeted gemcitabine delivery in pancreatic cancer
K Pal, F Al-Suraih, R Gonzalez-Rodriguez, SK Dutta, E Wang, HS Kwak, ...
Nanoscale 9 (40), 15622-15634, 2017
282017
Cationic doping of MgO surfaces to build corrosion protection in Mg alloys
H Kwak, S Chaudhuri
Journal of alloys and compounds 509 (32), 8189-8198, 2011
272011
Electronic structure of Si (001)− c (4× 2) analyzed by scanning tunneling spectroscopy and ab initio simulations
KS Nakayama, MMG Alemany, T Sugano, K Ohmori, H Kwak, ...
Physical Review B 73 (3), 035330, 2006
232006
Self-purification in Si nanocrystals: An energetics study
TL Chan, H Kwak, JH Eom, SB Zhang, JR Chelikowsky
Physical Review B 82 (11), 115421, 2010
212010
Size-dependent induced magnetism in carbon-doped ZnO nanostructures
H Kwak, JR Chelikowsky
Applied Physics Letters 95 (26), 263108, 2009
212009
Electrokinetic flow and electroviscous effect in a charged slit-like microfluidic channel with nonlinear Poisson-Boltzmann field
MS Chun, HW Kwak
Korea-Australia rheology journal 15 (2), 83-90, 2003
212003
High energy density in azobenzene-based materials for photo-thermal batteries via controlled polymer architecture and polymer-solvent interactions
SP Jeong, LA Renna, CJ Boyle, HS Kwak, E Harder, W Damm, ...
Scientific reports 7 (1), 1-12, 2017
162017
Quantum confinement and strong coulombic correlation in ZnO nanocrystals
H Kwak, ML Tiago, JR Chelikowsky
Solid state communications 145 (5-6), 227-230, 2008
132008
Role of quantum confinement and hyperfine splitting in lithium-doped ZnO nanocrystals
H Kwak, ML Tiago, TL Chan, JR Chelikowsky
Physical Review B 78 (19), 195324, 2008
112008
Atomic-scale Simulation for the Analysis, Optimization and Accelerated Development of Organic Optoelectronic Materials
MD HALLS, D YOSHIDOME, TJ MUSTARD, A GOLDBERG, HS KWAK, ...
NIHON GAZO GAKKAISHI (Journal of the Imaging Society of Japan) 54 (6), 561-569, 2015
102015
Role of vacancy and metal doping on combustive oxidation of Zr/ZrO2 core-shell particles
H Kwak, S Chaudhuri
Surface science 604 (23-24), 2116-2128, 2010
92010
Molecular design based on donor-weak donor scaffold for blue thermally-activated delayed fluorescence designed by combinatorial DFT calculations
Y Tsuchiya, K Tsuji, K Inada, F Bencheikh, Y Geng, HS Kwak, ...
Frontiers in chemistry 8, 403, 2020
82020
Estimation of electron and hole mobility of 50 homogeneous fullerene amorphous structures (C60, C58B2, C58N2 and C58NB) using a percolation corrected Marcus theory model
A Goldberg, HS Kwak, MD Halls, NN Matsuzawa, M Sasago, H Arai, ...
Organic Electronics 78, 105571, 2020
82020
Quantum mechanical simulation for the analysis, optimization and accelerated development of precursors and processes for atomic layer deposition (ALD)
TJL Mustard, HS Kwak, A Goldberg, J Gavartin, T Morisato, D Yoshidome, ...
Journal of the Korean Ceramic Society 53 (3), 317-324, 2016
72016
Hyperfine splitting of partially ionized Li donors in ZnO nanocrystals
H Kwak, ML Tiago, TL Chan, JR Chelikowsky
Chemical Physics Letters 454 (4-6), 337-340, 2008
72008
Massive theoretical screen of hole conducting organic materials in the heteroacene family by using a cloud-computing environment
NN Matsuzawa, H Arai, M Sasago, E Fujii, A Goldberg, TJ Mustard, ...
The Journal of Physical Chemistry A 124 (10), 1981-1992, 2020
62020
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Articles 1–20