| - | A Key Player for Designing Novel Energy-Related Materials: Reactive Force Field Simulation | HAN Sang Soo |
| 2011-09 | A modified embedded-atom method interatomic potential for the V-H system | Shim, Jae-Hyeok; Lee, Young-Su; Fleury, Eric; Cho, Young Whan; Ko, Won-Seok; Lee, Byeong-Joo |
| 2010-09 | A new method of constructing physics-based nano-crystalline atomic structures for molecular dynamics simulation | Park, Na-Young; Lee, Seung-Cheol; Cha, Pil-Ryung |
| 2018-02 | An interatomic potential for the Li-Co-O ternary system | Lee, Eunkoo; Lee, Kwang-Ryeol; Lee, Byeong-Joo |
| 1996-09 | Applying virtual reality to molecular graphics system | Yoon, C.N.; Chi, M.H.; Ko, H.; Park, J. |
| 2009-04-30 | Atomistic modeling of nanosized Cr precipitate contribution to hardening in an Fe-Cr alloy | Shim, Jae-Hyeok; Kim, Dong-Ik; Jung, Woo-Sang; Cho, Young Whan; Wirth, Brian D. |
| 2007-08-01 | Atomistic modeling of the interaction between self-interstitial dislocation loops and He in bcc Fe | Shim, Jae-Hyeok; Kwon, Sang Chul; Kim, Whung Whoe; Wirth, Brian D. |
| 2023-02 | Atomistic origin of mechanochemical NH3 synthesis on Fe catalysts | Hong Woo Lee; Jeong Ga-Un; Min-Cheol Kim; Donghun Kim; Sooyeon Kim; Sang Soo Han |
| 2017-10-26 | Atomistic Simulation Protocol for Improved Design of Si-O-C Hybrid Nanostructures as Li-Ion Battery Anodes: ReaxFF Reactive Force Field | Yeo, Byung Chul; Jung, Hyun; Lee, Hong Woo; Yun, Kang-Seop; Kim, Hyungjun; Lee, Kwang-Ryeol; Han, Sang Soo |
| 2012-10-30 | Atomistic simulations of diamond-like carbon growth | Joe, Minwoong; Moon, Myoung-Woon; Lee, Kwang-Ryeol |
| - | Atomistic study of dislocation assisted martensitic transformation of Cu precipitate in Fe | SHIM, JAE-HYEOK; Cho, Young Whan; Kwon, Sang Chul; Kim, Whung Whoe; Wirth, Brian D. |
| 2008-10-15 | Atomistic study of temperature dependence of interaction between screw dislocation and nanosized bcc Cu precipitate in bcc Fe | Shim, Jae-Hyeok; Kim, Dong-Ik; Jung, Woo-Sang; Cho, Young Whan; Hong, Kyung Tae; Wirth, Brian D. |
| 2016-12 | Atomistics of the lithiation of oxidized silicon (SiOx) nanowires in reactive molecular dynamics simulations | Jung, Hyun; Yeo, Byung Chul; Lee, Kwang-Ryeol; Han, Sang Soo |
| 2009-05 | Blue luminescent center in undoped ZnO thin films grown by plasma-assisted molecular beam epitaxy | Kim, J.-B.; No, Y.-S.; Byun, D.; Park, D.-H.; Choi, W.-K. |
| 2018-03 | Effect of Sub-T-g Annealing on the Corrosion Resistance of the Cu-Zr Amorphous Alloys | Shin, Sang-Soo; Kim, Hong-Kyu; Lee, Jae-Chul; Park, Ik-Min |
| 2018-01-15 | Estimation of interfacial properties of nanocomposites using an analytical interphase model | Choi, Hoi Kil; Yu, Jaesang; Kim, Eunho; Shin, Eui Sup |
| 2023-09 | Excited-state intramolecular proton transfer in 10-hydroxybenzoquinoline, 1-hydroxyanthraquinone, methyl salicylate and 4-methyl-2,6-diformyl phenol: a QM/MM-MD study | Rashid, Md Al Mamunur; Acter, Thamina; Uddin, Nizam |
| 2013-10 | How can a minor element added to a binary amorphous alloy simultaneously improve the plasticity and glass-forming ability? | Kim, Hong-Kyu; Lee, Mirim; Lee, Kwang-Ryeol; Lee, Jae-Chul |
| 2019-11 | Improved Description of a Coordinate Bond in the ReaxFF Reactive Force Field | Pai, Sung Jin; Lee, Hong Woo; Han, Sang Soo |
| 2021-02-02 | Ion irradiation induced surface composition modulation in equiatomic binary alloys | Kim, Byung-Hyun; Kim, Sang-Pil; Kang, Joonhee; Chung, Yong-Chae; Kim, Kyung-Suk; Lee, Kwang-Ryeol |
| 2014-03-28 | Lattice thermal conductivity of UO2 using ab-initio and classical molecular dynamics | Kim, Hyoungchul; Kim, Moo Hwan; Kaviany, Massoud |
| 2025-05 | Li-ion transport kinetics of Li10GeP2S12 solid electrolyte and its response to isovalent cation substitutions: Density functional theory and machine-learning-assisted molecular dynamics study | Ko, Hyeok Jin; Cho, Min Ha; Kim, Hong-Kyu; Scanlon, David O.; Park, Hee Jung; Choi, Yong-Seok |
| 2005-05 | Modified embedded-atom method interatomic potential for the Fe-Cu alloy system and cascade simulations on pure Fe and Fe-Cu alloys | Lee, BJ; Wirth, BD; Shim, JH; Kwon, J; Kwon, SC; Hong, JH |
| 2005-08 | Molecular dynamics simulation for the effect of hydrogen on mechanical behavior of amorphous metal | 차필령; Kim Yu Chan; Seok, Hyun Kwang; Kim, Ki Bae |
| 2007-10 | Molecular dynamics simulation of screw dislocation interaction with stacking fault tetrahedron in face-centered cubic Cu | Lee, Hyon-Jee; Shim, Jae-Hyeok; Wirth, Brian D. |
| 2007-08-01 | Molecular dynamics simulations of point defect interactions in Fe-Cr alloys | Wong, K. L.; Shim, J. H.; Wirth, B. D. |
| 2012-07 | Monte Carlo simulations of the structure of Pt-based bimetallic nanoparticles | Yun, Kayoung; Cho, Yong-Hun; Cha, Pil-Ryung; Lee, Jaegab; Nam, Ho-Seok; Oh, Jung Soo; Choi, Jung-Hae; Lee, Seung-Cheol |
| 2009-04-30 | Multiscale modeling of point defect interactions in Fe-Cr alloys | Wong, Kwan L.; Lee, Hyon-Jee; Shim, Jae-Hyeok; Sadigh, Babak; Wirth, Brian D. |
| 2018-02-08 | Multiscale prediction of thermal conductivity for nanocomposites containing crumpled carbon nanofillers with interfacial characteristics | Kim, Seong Yun; Jang, Han Gyeol; Yang, Cheol-Min; Yang, B. J. |
| 2011-01 | Networked interpenetrating connections of icosahedra Effects on shear transformations in metallic glass | Lee, Mirim; Lee, Chang-Myeon; Lee, Kwang-Ryeol; Ma, Evan; Lee, Jae-Chul |
