Scholarworks@UNIST: Browsing Repository

A comprehensive assessment of empirical potentials for carbon materials File File

Qian, Cheng , McLean, Ben , Hedman, Daniel , Ding, Feng

Article Issue Date2021-06 View251

A multiscale approach to determine binding energy distribution on a strained surface File

Wang, Zilu , Zhu, Liyan , Wang, Jinlan , Ding, Feng

Article Issue Date2014 View187

A polymer's dielectric normal modes depend on its film thickness when confined between nonwetting surfaces File

Jeon, S , Granick, S

Article Issue Date2001-11 View153

A sparse Bayesian Committee Machine potential for oxygen-containing organic compounds File

Willow, Soohaeng Yoo , Kim, Seungwon , Yang, D. ChangMo , Ha, Miran , Hajibabaei, Amir , Yang, Jung Woon , Kim, Kwang S. , Myung, Chang Woo

Article Issue Date2025-06 View293

Ab Initio Nonadiabatic Dynamics with Coupled Trajectories: A Rigorous Approach to Quantum (De)Coherence File

Min, Seung Kyu , Agostini, Federica , Tayernelli, Ivano , Gross, E. K. U.

Article Issue Date2017-07 View202

Ab initio study of the effect of water adsorption on the carbon nanotube field-effect transistor File

Sung, Dongchul , Hong, Suklyun , Kim, Yong-Hoon , Park, Noejung , Kim, Sanghyeob , Maeng, Sung Lyul , Kim, Ki-Chul

Article Issue Date2006-12 View198

Abnormally High Graphitic Crystallization of Cellulose Nanocrystals File

Lee, Jung-Eun , Jeon, Woo Cheol , Kim, Yea Eun , Lee, Ga-Hyeun , Kim, Juyoung , Kim, Min Jeong , Lee, Seung Min , Kweon, Seong Hyeon , Kwak, Sang Kyu , Chae, Han Gi

Article Issue Date2024-05 View185

Action-based pathway Modeling for atomic surface diffusion File

Kim, Sung Youb , Lee, In-Ho , Jun, Sukky

Article Issue Date2007-05 View182

Adsorption and Formation of BaO Overlayers on gamma-Al2O3 Surfaces File

Mei, Donghai , Ge, Qingfeng , Kwak, Jahun , Kim, Do Heui , Szanyi, Janos , Peden, Charles H. F.

Article Issue Date2008-11 View211

Amorphous boron nitride as an ultrathin copper diffusion barrier for advanced interconnects File

Kaya, Onurcan , Kim, Hyeongjoon , Kim, Byeongkyu , Galvani, Thomas , Colombo, Luigi , Lanza, Mario , Shin, Hyeon-Jin , Cole, Ivan , Suk Shin, Hyeon , Roche, Stephan

Article Issue Date2026-03 View20

An Enhanced Sampling Approach for Computing the Free Energy of Solid Surface and Solid-Liquid Interface File

Nguyen, Cao Thang , Ho, Duc Tam , Kim, Sung Youb

Article Issue Date2024-01 View224

Antimicrobial PEGtides: A Modular Poly(ethylene glycol)-Based Peptidomimetic Approach to Combat Bacteria File

Kim, Minseong , Mun, Wonsik , Jung, Woo Hyuk , Lee, Joonhee , Cho, Gayoung , Kwon, Jisoo , Ahn, Dong June , Mitchell, Robert J. , Kim, Byeong-Su

Article Issue Date2021-05 View254

Arresting an Unusual Amide Tautomer Using Divalent Cations File

Kashid, Somnath M. , Singh, Reman K. , Kwon, Hyejin , Kim, Yung Sam , Mukherjee, Arnab , Bagchi, Sayan

Article Issue Date2019-10 View232

Assembly of the Five-Way Junction in the Ribosomal Small Subunit Using Hybrid MD-Go Simulations File

Chen, Ke , Eargle, John , Lai, Jonathan , Kim, Hajin , Abeysirigunawardena, Sanjaya , Mayerle, Megan , Woodson, Sarah , Ha, Taekjip , Luthey-Schulten, Zaida

Article Issue Date2012-06 View104

Atomistic insight into the role of amine groups in thermoresponsive poly(2-dialkylaminoethyl methacrylate)s File

Min, Sa Hoon , Kwak, Sang Kyu , Kim, Byeong-Su

Article Issue Date2017-08 View253

Atomistic simulation of the growth of defect-free carbon nanotubes File

Xu, Ziwei , Yan, Tianying , Ding, Feng

Article Issue Date2015 View201

Atomistic simulations of incipient plasticity under A1(111) nanoindentation File

Lee, Youngmin , Park, Jong Youn , Kim, Sung Youb , Jun, Sukky , Im, Seyoung

Article Issue Date2005-10 View176

Auxeticity of face-centered cubic metal (001) nanoplates File

Ho, Duc Tam , Kim, Hokun , Kwon, Soon-Yong , Kim, Sung Youb

Article Issue Date2015-07 View197

Calculation of Melting Temperature Using Nonequilibrium Thermodynamic Integration Methods File

Nguyen, Cao Thang , Ho, Duc Tam , Ho, Viet Hung , Kim, Sung Youb

Article Issue Date2024-03 View193

Chain rotational dynamics in dilute polymer solutions and melts under shear flow File

Jeong, Seung Heum , Cho, Soowon , Baig, Chunggi

Article Issue Date2023-07 View151

Coalescence-enhanced melting in the incipient stage of surface melting File

Nguyen, Cao Thang , Ho, Duc Tam , Kim, Sung Youb

Article Issue Date2024-06 View179

Colloidal Nafion morphology in 1,2-alkanediols and its impact on membrane and ionomer properties File

Klein, Jeffrey M. , Kim, Danah , Welch, Cynthia , Hjelm, Rex P. , Hawley, Marilyn E. , Sokolova, Anna , Yim, Sung-Dae , Macauley, Natalia , Xu, Hui , Pedram, Sara , et al

Article Issue Date2025-07 View132

Colloquium: Proteins: The physics of amorphous evolving matter File

Eckmann, Jean-Pierre , Rougemont, Jacques , Tlusty, Tsvi

Article Issue Date2019-07 View136

Colossal grain growth yields single-crystal metal foils by contact-free annealing File

Jin, Sunghwan , Huang, Ming , Kwon, Youngwoo , Zhang, Leining , Li, Bao-Wen , Oh, Sangjun , Dong, Jichen , Luo, Da , Biswal, Mandakini , Cunning, Benjamin V , et al

Article Issue Date2018-11 View259

Combined Measurement of Translational and Rotational Diffusion in Quaternary Acyclic Ammonium and Cyclic Pyrrolidinium Ionic Liquids File

Alam, Todd M. , Dreyer, Daniel R. , Bielawski, Christopher W. , Ruoff, Rodney S.

Article Issue Date2013-02 View124

Comparison of heavy-ion transport simulations: Mean-field dynamics in a box File File

Colonna, Maria , Zhang, Ying-Xun , Wang, Yong-Jia , Cozma, Dan , Danielewicz, Pawel , Ko, Che Ming , Ono, Akira , Tsang, Manyee Betty , Wang, Rui , Wolter, Hermann , et al

Article Issue Date2021-08 View112

Contact-Induced Phase Separation of Alloy Catalyst to Promote Carbon Nanotube Growth File

Qiu, Lu , Ding, Feng

Article Issue Date2019-12 View190

Controllable Explosion of Nanobomb by Modifying Nanocontainer and External Shocks File

Jeon, Woo Cheol , Lee, Jeong Hyeon , Kim, Jin Chul , Jung, Sang-Hyun , Cho, Soo Gyeong , Kwak, Sang Kyu

Article Issue Date2020-02 View195

Cosolvent Effects on Solute-Solvent Hydrogen-Bond Dynamics: Ultrafast 2D IR Investigations File

Kashid, Somnath M. , Jin, Geun Young , Bagchi, Sayan , Kim, Yung Sam

Article Issue Date2015-11 View146

Coupled-Trajectory Quantum-Classical Approach to Electronic Decoherence in Nonadiabatic Processes File

Min, Seung Kyu , Agostini, Federica , Gross, Eberhard K. U.

Article Issue Date2015-08 View127

Coupling between C-D and C=O motions using dual-frequency 2D IR photon echo spectroscopy File

Kumar, Keshav , Sinks, Louise E. , Wang, Jianping , Kim, Yung Sam , Hochstrasser, Robin M.

Article Issue Date2006-12 View159

Dependence of SWNT growth mechanism on temperature and catalyst particle size: Bulk versus surface diffusion File

Ding, F , Rosen, A , Bolton, K

Article Issue Date2005-08 View146

DFT-CES2: Quantum Mechanics Based Embedding for Mean-Field QM/MM of Solid-Liquid Interfaces File File

Jang, Taehwan , Shin, Seung-Jae , Lim, Hyung-Kyu , Goddard III, William A. , Kim, Hyungjun

Article Issue Date2025-04 View3

Dimers of human -defensins and their interactions with the POPG membrane File

Chen, Wen Wen , Yoon, Yong-Jin , Leong, Susanna Su Jan , Kwak, Sang Kyu

Article Issue Date2013-09 View123

Direct Nonadiabatic Dynamics by Mixed Quantum-Classical Formalism Connected with Ensemble Density Functional Theory Method: Application to trans-Penta-2,4-dieniminium Cation File

Filatov, Michael , Min, Seung Kyu , Kim, Kwang S.

Article Issue Date2018-09 View229

Double proton transfer dynamics of model DNA base pairs in the condensed phase File

Kwon, Oh Hoon , Zewail, Ahmed H.

Article Issue Date2007-05 View154

dpdata: A Scalable Python Toolkit for Atomistic Machine Learning Data Sets File

Zeng, Jinzhe , Peng, Xingliang , Zhuang, Yong-Bin , Wang, Haidi , Yuan, Fengbo , Zhang, Duo , Liu, Renxi , Wang, Yingze , Tuo, Ping , Zhang, Yuzhi , et al

Article Issue Date2025-11 View1

Dynamic State and Active Structure of Ni–Co Catalyst in Carbon Nanofiber Growth Revealed by in Situ Transmission Electron Microscopy File

Fan, Hua , Qiu, Lu , Fedorov, Alexey , Willinger, Marc-Georg , Ding, Feng , Huang, Xing

Article Issue Date2021-11 View156

Electronic structure and optical absorption spectra of CdSe covered with ZnSe and ZnS epilayers File

Yun, So Jeong , Lee, Geunsik , Kim, Jai Sam , Shin, Seung Koo , Yoon, Young-Gui

Article Issue Date2006-02 View175

Electronic structure of adenine and thymine base pairs studied by femtosecond electron-ion coincidence spectroscopy File

Gador, Niklas , Samoylova, Elena , Smith, Valoris Reid , Stolow, Albert , Rayner, David M. , Radloff, Wolfgang , Hertel, Ingolf Volker , Schultz, Thomas

Article Issue Date2007-11 View171

Engineering multiferroism through localized hole doping in a flat-band ferroelectric HfO2 File

Kim, Chang Hoon , Lee, Jun Hee

Article Issue Date2026-02 View17

Estimation of the free energy of hard-sphere crystals via a free-volume approach File

Kwak, Sang Kyu , Park, Taezoon , Yoon, Yong-Jin , Lee, Jong-Min

Article Issue Date2012-01 View213

Evaluation of hydrophilic and hydrophobic ionic liquids as dual-functional CH4 hydrate inhibitors: A combined experimental and simulation study File

Yun, Soyeong , Lee, Dongyoung , Go, Woojin , Kim, Ki-Sub , Seo, Yongwon

Article Issue Date2024-10 View180

Evolution of protein-coupled RNA dynamics during hierarchical assembly of ribosomal complexes File File

Abeysirigunawardena, Sanjaya C. , Kim, Hajin , Lai, Jonathan , Ragunathan, Kaushik , Rappe, Mollie C. , Luthey-Schulten, Zaida , Ha, Taekjip , Woodson, Sarah A.

Article Issue Date2017-09 View204

Evolution of small nickel cluster during solidification File

Li, H , Ding, F , Wang, GH , Zhang, J , Bian, XF

Article Issue Date2001 View92

Excited-state double proton transfer of 7-azaindole in water nanopools File

Kwon, Oh Hoon , Jang, DJ

Article Issue Date2005-11 View142

Experimental and computational investigations of the abnormal slow dissociation behavior of CH4 hydrate in the presence of Poly (N-vinylcaprolactam) File

Yun, Soyeong , Lee, Dongyoung , An, Sohyeon , Seo, Yongwon

Article Issue Date2023-11 View154

First-principles study of interstitial diffusion of oxygen in nickel chromium binary alloy File

Kim, Jong Jin , Shin, Sang Hun , Jung, Ju Ang , Choi, Kyung Joon , Kim, Ji Hyun

Article Issue Date2012-03 View163

Formation of Carbon Clusters in the Initial Stage of Chemical Vapor Deposition Graphene Growth on Ni(111) Surface File

Gao, Junfeng , Yuan, Qinghong , Hu, Hong , Zhao, Jijun , Ding, Feng

Article Issue Date2011-09 View154

Formation of the 15 Å phase as the most expanded hydrated mineral in cold subduction zone File

Bang, Yoonah , Kim, Juhyeok , Choi, Jinhyuk , Sim, Heehyeon , Zhang, Dongzhou , Jeon, Tae-Yeol , Shin, Tae Joo , Liermann, Hanns-Peter , Kwon, Kideok D. , Lee, Yongjae

Article Issue Date2025-03 View139

Formulation of transition dipole gradients for non-adiabatic dynamics with polaritonic states File

Lee, In Seong , Filatov, Michael , Min, Seung Kyu

Article Issue Date2024-04 View233

Graphitic encapsulation of catalyst particles in carbon nanotube production File

Ding, F , Rosen, A , Campbell, EEB , Falk, LKL , Bolton, K

Article Issue Date2006-04 View137

Growth and Selective Etching of Twinned Graphene on Liquid Copper Surface File

Liu, Fengning , Dong, Jichen , Kim, Na Yeon , Lee, Zonghoon , Ding, Feng

Article Issue Date2021-10 View170

Halides with Fifteen Aliphatic C-H center dot center dot center dot Anion Interaction Sites File File

Shi, Genggongwo , Aliakbar Tehrani, Zahra , Kim, Dongwook , Cho, Woo Jong , Youn, Il-Seung , Lee, Han Myoung , Yousuf, Mohammad , Ahmed, Nisar , Shirinfar, Bahareh , Teator, Aaron J. , et al

Article Issue Date2016-07 View178

High Temperature Accelerated Stone-Wales Transformation and the Threshold Temperature of IPR-C-60 Formation File

Mitchell, Izaac , Qiu, Lu , Lamb, Lowell D. , Ding, Feng

Article Issue Date2021-06 View166

How the Orientation of Graphene Is Determined during Chemical Vapor Deposition Growth File

Zhang, Xiuyun , Xu, Ziwei , Hui, Li , Xin, John , Ding, Feng

Article Issue Date2012-10 View130

In situ transmission electron microscopy of temperature-dependent carbon nanofiber and carbon nanotube growth from ethanol vapor File File

Choe, Myeonggi , Chung, Handolsam , Kim, Wonjun , Jang, Younggeun , Wang, Zhaoying , Lee, Zonghoon

Article Issue Date2024-02 View249

Independent trajectory mixed quantum-classical approaches based on the exact factorization File

Ha, Jong-Kwon , Min, Seung Kyu

Article Issue Date2022-05 View141

Insight into the Microenvironments of the Metal-Ionic Liquid Interface during Electrochemical CO2 Reduction File

Lim, Hyung-Kyu , Kwon, Youngkook , Kim, Han Seul , Jeon, Jiwon , Kim, Yong-Hoon , Lim, Jung-Ae , Kim, Beom-Sik , Choi, Jina , Kim, Hyungjun

Article Issue Date2018-03 View150

Interface mixing behaviour of Lennard-Jones FCC (100) thin film File

Gazali, Panji , Kwak, Sang Kyu , Singh, Jayant K.

Article Issue Date2008 View164

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