2025

1. H. Choi, S. Kim, K. Kang, and J. W. Hahn, Multispectral Stealth Effects on UAV Detection and Interception: An Analytical Framework, Optical Engineering, submitted

2. S. Roy, S. Moon, A. Patil, Y. Seo,  K. Kang, and S. Jun, Modulation of charge distribution of NiCo2S4 by inducing S vacancy and incorporating Ir single atom and cluster catalyst for efficient alkaline water electrolysis, Materials Today Energy, submitted

3. Y. Kim, H. Lee, S. Rhie, S. Ryu, and K. Kang. Structural hierarchy can enhance the elastic modulus of random porous materials, Heliyon, submitted

4. S. Kim, S. J. Lee, Y. Kim, S. Lee, K. Kang. Design of Cubic-Symmetric Lattice Structures for Target Mechanical Properties Using Machine-Learned Models of Property Prediction and Structure Reconstruction, Engineering with Computers, submitted 

5. Y. Morita, D. Lim, K. Kim, J. Hong, S. W. Cha, K. Kang. Analysis of unidirectional CO2 gas absorption behavior and cell morphology in a PMMA plane sheet with one surface exposed, in preparation

6. Y. Lee, J. Choi, S. Song, S. Yoo, K. Kang, Molecular Dynamics Simulations of Planar Shock wave in Single Crystalline Aluminum for Hugoniot Relationship, Results in Materials, submitted

7. Y. Shin, V. Moul, K. Kang, and B. Lee, PolyPal: A parallel microscale virtual specimen generator, Computer Physics Communications, (2025) 308 109458, https://doi.org/10.1016/j.cpc.2024.109458

8. J. Um, S. Moon, S.-I. Cho and K. Kang, Prediction model of aspect ratio-dependent etching rate through molecular dynamics-based data processing, J. of Mech. Sci. Tech. (2024), 39 1289 https://doi.org/10.1007/s12206-025-0224-3

2024

1. H. Park, S. Moon and K. Kang.  The effect of atomic hydrogen on the behavior of a single dislocation of 〈111〉{112} in bcc tungsten: atomistic study, Journal of Nuclear Materials, (2024) 589 154842  https://doi.org/10.1016/j.jnucmat.2023.154842

2. S. Moon, J. H. Paek, Y. H. Jang,  K. Kang. Mixing behavior of Ti-Al interface during the ultrasonic welding process and its welding strength: molecular dynamics study, Heliyon, (2024) 10(3) e25116 https://doi.org/10.1016/j.heliyon.2024.e25116

3. Y. Kim, W. K. Pyo, W. K. Kim, G.-Y. Suh, K. Kang, S.-H. Lee. A parametric study regarding structural design of a bioprosthetic aortic valve by 3D fluid-structure interaction simulations, Heliyon (2024) 10(6) e27310  https://doi.org/10.1016/j.heliyon.2024.e27310

4. W. Choi, M. Choi, T. Jun, Y. Kim, D.Y. Ryu, N.K. Kim, H-J. Lee, S.H. Lee, W. Lee, M. Lee, K. Kang, J-S. Kwon, J.G. Jang, H. Ha, J.Y. Choi, S. Lim, S. Lee, S.Y. Jung, and J. Hong. Templated Assembly of Silk Fibroin for a Bio-Feedstock-Derived Heart Valve Leaflet, Advanced Functional Materials (2024) 34(14) 2307106,  https://doi.org/10.1002/adfm.202307106

5. J. Um and K. Kang, Efficiency of high energy fluorocarbon molecule bombardment for fast etch rate and its limitation: A molecular dynamics study, Materials Letters (2024) 365 136491, https://doi.org/10.1016/j.matlet.2024.136491

6. Y. Shin, K. Kang, and B. Lee, Temperature-dependent electron-phonon coupling changes the damage cascades in neutron-irradiation molecular dynamics simulation in W, Nuclear Fusion (2024) 64 106001, https://doi.org/10.1088/1741-4326/ad64e7

7. S. J. Lee, S. Yoo, S. Moon, Y. Kim, H, Choi, Y. Won, H.-H. Park, K. Kang. Design of a stretch-dominated lattice structure of cubic symmetry based on atomic-level structural arrangement, Materials Science & Engineering A (2024), submitted 

2023

1. C. Hong, M. Kim, B-M. Lim, S.  Moon, K. Kang, I. Kymissis, H-S. Lee, H-H. Park. Improvement in the Stability of Cation (Si)/Anion (F or N) co-doped ZnO Thin-Film Transistors Formed via Atomic Layer Deposition, International Journal of Energy Research (2023) vol. 2023, Article ID 3608634,  https://doi.org/10.1155/2023/3608634

2. A. M. Patil, S. Moon, A. A. Jadhav, J. Hong, K. Kang and S. C. Jun. Modifying the Electronic Structure of the Cation-Exchanged Bimetal Sulfide/Metal Oxide Heterostructure through In Situ Ag Inclusion for Extrinsic Pseudocapacitor, Advanced Functional Materials (2023), 2305264 ,https://doi.org/10.1002/adfm.202305264 

3. A. Patil, S. Moon, S. Roy, J. Ha, N. Chodankar, D. Dubal, A. Jadhav, K. Kang, S. Jun. Electronic Structure Engineered Heteroatom Doped All Transition Metal Sulfide Carbon Confined Heterostructure for Extrinsic Pseudocapacitor, Small (2023), 2301153, https://doi.org/10.1002/smll.202301153 

4. S. Mohanty, S. Yoo, K. Kang and W. Cai. Evaluating the Transferability of Machine-Learned Force Fields for Material Property Modeling, Computer Physics Communications (2023) 288 108723 https://doi.org/10.1016/j.cpc.2023.108723

5. A. Patil, S. Moon, Y. Seo, S. Roy, A. Jadhav, D. Dubal, K. Kang, S. Jun. Reconfiguring the Electronic Structure of Heteroatom Doped Carbon Supported Bimetallic Oxide@Metal Sulfide Core-Shell Heterostructure Via in situ Nb Incorporation Toward Extrinsic Pseudocapacitor, Small (2023) 19 2205491 , https://doi.org/10.1002/smll.202205491

2022

1. S. Oh, J. Um, S. Yoo, K. Kang, Monte Carlo-based modeling and simulation for pattern distortion analysis in plasma etching process of silicon, Vacuum (2021), submitted

2. D. Kim, S. J. Ko,  S. M. Hong, K. Kang, Study on Ablation of CNT-Phenolic Composites by HVOF Experiment and Finite Element Analysis, Journal of Mechanical Science and Technology (2021), submitted

3. S. Park, J. Ha, M. F. Khan, C. Im, J. Y. Park, S. Yoo, M. Rehman, K. Kang, S. H. Lee, S. C. Jun, Pronounced Photovoltaic Effect in n-n ReS2 Homostructure, ACS Applied Electronic Materials (2022) 4 4306 https://pubs.acs.org/doi/full/10.1021/acsaelm.2c00567

4. S. Roy, S. Moon, K. Kim, A. Patil, M. Rehman, S. Yoo, Y. Seo.  J. Park, K. Kang, S. Jun, Tuning the band (p and d) center and enhancing the active sites by nitrogen(N) doping on iridium diphosphide (IrP2) for accelerating pH-universal overall water electrolysis, Applied Catalysis B: Environmental (2022) 319 121906 https://doi.org/10.1016/j.apcatb.2022.121906

5. H. Choi, T. Kim, T. Kim, S. Moon, S. Yoo, V. G. Parale, R. P. Dhavale, K. Kang, H. Sohn, and H-H. Park, Ultralow dielectric cross-linked silica aerogel nanocomposite films for interconnect technology, Appl. Mater. Today (2022) 28 101536 https://doi.org/10.1016/j.apmt.2022.101536

6. D.-Y. Kim, Y.-J. Woo,  K. Kang, G. H. Yoon, Failure diagnosis system using a new nonlinear mapping augmentation approach for deep learning algorithm, Mechanical Systems and Signal Processing (2022) 172 108914 https://doi.org/10.1016/j.ymssp.2022.108914 

7. T. Kim, S. Roy, S. Moon, S. Yoo, H. Choi, P. Vinyak, Y. Kim, J. Lee, S. C. Jun, K. Kang, S-H, Chun, H-H. Park, Highly dispersed Pt clusters on an F-doped tin(IV) oxide  aerogel matrix: an ultra-robust hybrid catalyst for enhanced hydrogen evolution reaction activity, ACS Nano (2022) 16, 1, 1625-1638 https://doi.org/10.1021/acsnano.1c10504 

2021

1. Y. Kim, S. Yoo, H. G. Lee, Y. Won, J. Choi and K. Kang, Structural Analysis of Silica Aerogels for the Interlayer Dielectric in Semiconductor Devices, Ceramics International (2021) 47 29722 https://doi.org/10.1016/j.ceramint.2021.07.144

2. Y. Shin, K. Kang, B. Lee, Reduced interstitial mobility through multicomponent alloying in bcc W, Fusion Engineering and Design (2021) 172 112745 https://doi.org/10.1016/j.fusengdes.2021.112745

3. J. Kim, H. Park, S. Yoo, K. Kang and J. Kim, Defect-engieered n-doping of layered WSe2 via mild argon plasma treatment and its device application, Advanced Materials Interfaces (2021) 8 2100718  https://doi.org/10.1002/admi.202100718

4. J. Kim, H. Ghaffarian and K. Kang, The lattice dislocation trapping mechanism at the ferrite/cementite interface in the Isaichev orientation relationship, Scientific Reports (2021) 11 9324 https://doi.org/10.1038/s41598-021-88544-6

5. S. Yoo, B. Lee and K. Kang, Density functional theory study of the mechanical behavior of silicene and development of a Tersoff interatomic potential model tailored for elastic behavior, Nanotechnology (2021) 32 295902 https://doi.org/10.1088/1361-6528/abf26d

6. J. Y. Park, S. Yoo, B. Park, T. Kim, Y. T. Chun, J. M. Kim, K. Kang, S. H. Lee and S. C. Jun, Dipole-assisted carrier transport in bis(trifluoromethane) sulfonamide-treated O-ReS2 field-effect transistor, Nano Research (2021) 14 2207  doi:10.1007/s12274-020-3185-y

2020

1. S. Kim, K. Kang, S. Y. Kim, Dynamic drags acting on moving defects in discrete dispersive media: from dislocation to low-angle grain boundary, Journal of the Mechanics and Physics of Solids (2020) 145: p.104166, https://doi.org/10.1016/j.jmps.2020.104166

2. H. G. Lee, S. Yoo, B. Lee and K. Kang, Free-surface effect on displacement cascades in BCC W: molecular dynamics study, Nuclear Fusion (2020) 60: p. 126009, https://doi.org/10.1088/1741-4326/abb038

3. D. You, S. Ganorkar, S. Kim, K. Kang, W.-Y. Shin and D. Lee, Machine learning-based prediction models for formation energies of interstitial atoms in HCP crystals, Scripta Materialia (2020) 183: p.1-5, https://doi.org/10.1016/j.scriptamat.2020.02.042

4. D. Kim, M. Jeong, K. Kang and S. Ryu, Gravitational Effect on the Advancing and Receding Angles of a Two-Dimensional Cassie−Baxter Droplet on a Textured Surface, Langmuir (2020) 36: p. 6061-6069, https://dx.doi.org/10.1021/acs.langmuir.9b03939?ref=pdf

5. S. Kim, H. Kim, K.Kang and S. Kim, Relativistic effect inducing drag on fast-moving dislocation in discrete system, International Journal of Plasticity (2020) 126: p.102629. doi:10.1016/j.ijplas.2019.11.008 

6. J. Kim, H. Ghaffarian, S. Ryu and K. Kang, The effect of the misfit dislocation on the in-plane shear response of the ferrite/cementite interface, Computational Materials Science (2020) 173: p.109375 doi:10.1016/j.commatsci.2019.109375 

2019

1. S. Signetti, K. Kang, N. Pugno, and S. Ryu, Atomistic modelling of the hypervelocity dynamics of shock-compressed graphite and impacted graphene armours, Computational Materials Science, (2019) 140: p.109152. doi:10.1016/j.commatsci.2019.109152 

2. D. Lee, S. Yoo, J. Bae, H. Park, K. Kang and J. Kim, High-energy proton irradiation damage on two-dimensional hexagonal boron nitride, RSC Advances, (2019) 9: p.18326-18332. doi:10.1039/C9RA03121A 

3. D. You, S. Ganorkar, M. Joo, D. Park, S. Kim, K. Kang and D. Lee, Ab initio study of H, B, C, N, O, and self-interstitial atoms in hcp-Zr, Journal of Alloys and Compounds, (2019) 787: p.631. doi:10.1016/j.jallcom.2019.02.144 

4. H. Ghaffarian, A. K. Taheri, K. Kang and Seunghwa Ryu, Molecular Dynamics Simulation Study on the Effect of the Loading Direction on the Deformation Mechanism of Pearlite, Multiscale Science and Engineering, (2019) 1: p.47-55. doi:10.1007/s42493-018-00003-z 

2018

1. S. Kim, J. Park, S. Yoo, P. Umadevi, H. Lee, J. Cho and K. Kang, Carrier transport properties of MoS2 asymmetric gas sensor under charge transfer-based barrier modulation, Nanoscale Research Letters, (2018) 13: p.265. doi:10.1186/s11671-018-2652-9 

2. J. Choi, S. Yoo, S. Song, J. S. Park and K. Kang, Molecular dynamics study of Hugoniot relation in shocked nickel single crystal, Journal of Mechanical Science and Technology, (2018) 32(7): p. 3273-3281. doi:10.1007/s12206-018-0629-3 

2017

1. S. J. Kim, B. Park, S. H. Noh, H. S. Yoon, S. Yoo, K. Kang, B. Han and S. C. Jun, Carrier scattering in quasi-free standing graphene on hexagonal boron nitride. Nanoscale, 2017 9(41): p. 15934-15944. doi:10.1039/C7NR04571A  

2.  J. Y. Park, H.-E. Joe, H. S. Yoon, S. Yoo, T. Kim, K. Kang, B.-K. Min and S. C. Jun, Contact Effect of ReS2/Metal Interface. ACS Applied Materials & Interfaces, 2017 9(31): p. 26325-26332. doi:10.1021/acsami.7b06432

3. S. Yoo, J. Doh, J. Lim, O. Kang, J. Lee and K. Kang, Topologically optimized shape of CFRP front lower control ARM. International Journal of Automotive Technology, 2017 18(4): p. 625-630. doi:10.1007/s12239-017-0062-0 

2016

1. S. H. Park, K. J. Lee, J.Y. Lee, J. H. Yoon, D. H. Jo, J. H. Kim, K. Kang and W.H. Ryu, Microneedle-based minimally-invasive measurement of puncture resistance and fracture toughness of sclera, Acta Biomaterialia, 2016 44: p.286. doi:10.1016/j.actbio.2016.08.011

2. H. Ghaffarian, A. Karimi Taheri, S. Ryu and K. Kang, Nanoindentation study of cementite size and temperature effects in nanocomposite pearlite: A molecular dynamics simulation, Current Applied Physics, 2016 16(9): p.1015-1025. doi:10.1016/j.cap.2016.05.024

3. J. Kim, K. Kang and S. Ryu, Characterization of the misfit dislocations at the ferrite/cementite interface in pearlitic steel: An atomistic simulation study, International Journal of Plasticity, 2016 83: p. 302. doi:10.1016/j.ijplas.2016.04.016

4. S. Kim, D. T. Ho, K. Kang and S. Y. Kim, Phonon scattering during motion inducing stress-drop in cubic metals, Acta Materialia, 2016 115: p. 143. doi:10.1016/j.actamat.2016.05.053

5. B. Kim, S. Yoo, Y.-J. Kim, J. Park, B. Kang, S. Haam, S.-W. Kang, K. Kang and U. Jeong, A Strain-Regulated, Refillable Elastic Patch for Controlled Release. Advanced Materials Interfaces, 2016 3(9): p. 1500803-n/a. doi:10.1002/admi.201500803

2015

1. H. Ghaffarian, A. Karimi Taheri, K. Kang and S. Ryu, Molecular dynamics study of the effect of temperature and grain size on the deformation behavior of polycrystalline cementite, Scripta Materialia, 2015 95: p.23. doi:10.1016/j.scriptamat.2014.09.022 

2022

1. S. Yoo, S. Oh, Y. Shin, O. Kwon, K. Kang, B, Lee  I/0 optimization for micrometer-scale atomistic calculations under extreme conditions, APS April Meeting 2022, 2022. 04. 11

2021

1. J. Um, K. Kang, Energy dissipation on SiO2 surface by high-energy fluorocarbon irradiation: A molecular dynamics study, DPS 2021, 2021. 11.18

2. S. Moon, Y. Kim, T. Kim, H. Choi, H. Park, K. Kang, Atomistic study of mechanical properties on colloidal and fibrous structures of silica aerogel, Materials Info 2021, 2021. 09. 29

3.  Y. Kim, S. Moon, T. Kim, H. Choi, H. Park, K. Kang, Mechanical properties of silica aerogel calculated by finite element analysis, Materials Info 2021, 2021. 09. 29

4. S. Lee, S. Yoo, S. Moon, K. Kang, Design of an open structure based on atomic-level structural configuration for higher Young’s modulus, Materials Info 2021, 2021. 09. 29

5. K. LEE, H. Choi,  T. Kim, S. Yoo, K. Kang, H. Park, A study on mechanically enhanced organic binder-silica composite aerogels, Materials Info 2021, 2021. 09. 29

6. T. Kim, H. Choi,  Y. Kim, S. Moon, S. Yoo, K. Kang, H. Park, Influence of rGO in the photocatalytic activity of SnO2 aerogel for organic dye degradation, Materials Info 2021, 2021. 09. 28

7. H. Choi,  T. Kim, S. Moon, S. Yoo, K. LEE, K. Kang, H. Park, Synthesis of hybrid aerogel with phenyl/vinyl group and evaluation of physical properties, Materials Info 2021, 2021. 09. 28

2020

1. S. Yoo, B. Lee, K. Kang, Grid Search and Gradient-Based Optimization of Parameters in Tersoff Interatomic Potential Model to Predict Mechanical Behavior of Silicene, APCFS 2020, 2020. 11. 5

2. D. Kim, S. Yoo, J. Choi, S. Koh, Y. Choi, S. M. Hong, K. Kang, Multiscale modeling of the ablative process for phenolic resin including CNTs, COMPSAFE 2020, 2020. 12. 10

3. Y. Kim, S. Yoo, H. G. Lee, Y. Won, K. Kang, A Design of Low-κ and Stiff Silica Aerogel for Interlayer Dielectric of Semiconductor Device, Online Aeorgel Seminar 2020, 2020. 9. 17

2019

1. Y. Kim, H. Lee, S. Yoo, K. Kang, Structural Analysis and Design of Silica Aerogel for Intermetal Dielectric of Semiconductor Device, APCOM 2019, 2019.12.19

2. J. Nan, H. Lee and K.Kang, Molecular dynamics study of materials properties of pure W and W-10Re alloy beforeand after irradiation, MoD-PMI 2019, 2019. 6. 19

3. H. Lee, B. Lee and K.Kang, The defect formation mechanisms and change of the mechanical properties under theirradiation in pure W and W-Re alloy: Molecular dynamics study, MoD-PMI 2019, 2019. 6. 19

4. S. Yoo, S. Oh and K. Kang, Study of proton irradiation in wurtzite GaN with a-type prism-edge dislocation using molecular dynamics simulations, MoD-PMI 2019, 2019. 6. 19

2018

1. S. Yoo, Y. Kim and K. Kang, MD simulation study of displacement damage in bulk wurtzite GaN by proton irradiation, MMM 2018. 2018. 11. 1

2. H. Lee, B. Lee and K. Kang, Molecular dynamics study of the bulk cascades in W-Re alloy, MMM 2018, 2018.10.31

3. J. Choi, S. Yoo, S. Soon, J. Park and K. Kang, Branched Hugoniot curve of aluminum in strong shock using molecular dynamics, MMM 2018, 2018.10.31

4. S. Moon and K. Kang, Dislocation transmission behaviors of bi-crystal BCC tantalum with high and low angle symmetric tilt grain boundaries: multiscale simulation study, MMM 2018, 2018.10.29

5. S. Moon and K. Kang, Yielding Behavior by Screw Dislocations at High strain Rates in Single Crystalline BCC Tantalum: Dislocation Dynamics Study, ETME 2018, 2018.8.22

6. M. Jeong, S. Ryu and K.Kang, Calculation of Surface Energy Barriers of Droplet Adhesion to Textured Solid Surface in Cassie-Baxter Wetting Mode by Using Numerical Modeling, WCCM 2018, 2018.7.24

7. S. Yoo, B. Lee and K. Kang, Newly Optimized Silicene Interatomic Potential Model for Elastic Constants, WCCM 2018, 2018.7.23

8. Y. Kim and K. Kang, Multiscale Indentation and Bending Simulations of Mono-layered Graphene in Elastic Regime, WCCM 2018, 2018.7.23 

9. H. Lee, S. Yoo, B. Lee and K. Kang, The free-surface effects on the cascades under the multiple-irradiations in bcc tungsten: molecular dynamics simulations, CODE 2018, 2018.4.3

10. M. Jeong, S. Ryu and K. Kang, Calculation of surface energy barrier of deformable body adhesion to patterned surface in Cassie-Baxter wetting mode by using numerical modeling, CODE 2018, 2018.4.3

11. S. Moon and K. Kang, Dislocation transmission behavior of bi-crystal bcc tantalum with ∑5 symmetric tilt grain boundary using molecular dynamics simulation, CODE 2018, 2018.4.3

12. S. Yoo, B. Lee and K. Kang, Reconstruction of tersoff potential model for mechanical properties of silicene in elastic regime, CODE 2018, 2018.4.3

13. Y. Kim and K. Kang, Multiscale indentation and bending simulations of mono-layered graphene in elastic regime, CODE 2018, 2018.4.3

2016

1. S. Yoo, J. Lim, J. Doh, O. Kang, J. Lee and K. Kang, Feature/Thickness Optimization of CFRP Front Lower Control Arm, FISITA 2016, 2016.9.28

2. S. Yoo, B. Lee and K. Kang, Elastic Behavior of Silicene under Tension and Bending: Atomistic Study, WCCM 2016, 2016.7.26

3. H. Lee, B. Lee and K. Kang, The effect of primary knocked-on atom direction and the surface effect on the displacement cascades in BCC W: molecular dynamics study, WCCM 2016, 2016.7.26

2015

1. S. Yoo, B. Lee and K. Kang, Fracture behavior of silicene under tension - Molecular dynamics simulations, IWACOM-III, 2015.10.14

2. H. Lee and K. Kang, Molecular Dynamics Study of Dislocation Formation Mechanism in <112> Oriented Si-Ge Core-Shell Nanowires Under Tension, MRS 2015 spring, 2015.4.9

3. S. Yoo, B. Lee and K. Kang, Atomsitic Study of Bending Modulus Behavior of Silicene, MRS 2015 spring, 2015.4.7