H. Shaun Kwak
TitelCiteras avÅr
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
522010
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
392012
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
222015
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
222011
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
222006
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
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
182016
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
182003
Quantum confinement and strong coulombic correlation in ZnO nanocrystals
H Kwak, ML Tiago, JR Chelikowsky
Solid State Communications 145 (5-6), 227-230, 2008
122008
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
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
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), 17773, 2017
72017
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
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
52017
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
52016
Ab initio based multiscale modeling of alloy surface segregation
H Kwak, YK Shin, ACT Van Duin, AV Vasenkov
Journal of Physics: Condensed Matter 24 (48), 485006, 2012
52012
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
42015
Understanding the Role of Intermetallic Particles in Localized Corrosion
J Xiao, H Kwak, S Chaudhuri
Proceedings of MS&T 2011, Columbus, OH, p1374-1385, 2011
42011
Study on hindered diffusion of single polyelectrolyte chain in micro-pores by employing Brownian dynamics simulations
MS Chun, HW Kwak
MEMBRANE JOURNAL-SUWON- 12 (4), 207-215, 2002
42002
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Artiklar 1–20