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Ion Transport Analysis of Anion-Exchange Membranes in Various Hydration States: Combining Experiments with Molecular Dynamics Simulation
Yuri Nara, Kento Kasahara, Kiyoshi Yagi, Kang Kim, Nobuyuki Matubayasi, Hiroyoshi Kawakami, Manabu Tanaka
ACS Applied Polymer Materials 2025/10/09 Research paper (scientific journal)
Publisher: American Chemical Society (ACS)
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Elucidation of the Correlation between Molecular Conformation and Shear Viscosity of Polymer Melts under Steady-State Shear Flow
Yuhi Sakamaki, Shota Goto, Kang Kim, Nobuyuki Matubayasi
2025/10/09
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Learning Microswimmer Collision Dynamics and Predicting Diffusivities using a Neural-Network-Assisted Boltzmann Approach
Haruki Hayano, Akira Furukawa, Kang Kim
2025/10/02
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Benchmarking thermostat algorithms in molecular dynamics simulations of a binary Lennard-Jones glass-former model
Kumpei Shiraishi, Emi Minamitani, Kang Kim
2025/09/16
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Dual effect of cholesterol on interfacial water dynamics in lipid membranes: Interplay between membrane packing and hydration
Kokoro Shikata, Kento Kasahara, Nozomi Morishita Watanabe, Hiroshi Umakoshi, Kang Kim, Nobuyuki Matubayasi
2025/07/29
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Graph neural network-based structural classification of glass-forming liquids and its interpretation via self-attention mechanism
Kohei Yoshikawa, Kentaro Yano, Shota Goto, Kang Kim, Nobuyuki Matubayasi
The Journal of Chemical Physics Vol. 163 No. 2 2025/07/10 Research paper (scientific journal)
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Investigating the hyperparameter space of deep neural network models for reaction coordinates
Kyohei Kawashima, Takumi Sato, Kei-ichi Okazaki, Kang Kim, Nobuyuki Matubayasi, Toshifumi Mori
APL Machine Learning Vol. 3 No. 1 2025/03/01 Research paper (scientific journal)
Publisher: AIP Publishing
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Atomistic analysis of nematic phase transition in 4-cyano-4′-n-alkyl biphenyl liquid crystals: Sampling for the first-order phase transition and the free-energy decomposition
Shunsuke Ogita, Yoshiki Ishii, Go Watanabe, Hitoshi Washizu, Kang Kim, Nobuyuki Matubayasi
The Journal of Chemical Physics Vol. 162 No. 5 2025/02/04 Research paper (scientific journal)
Publisher: AIP Publishing
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Persistent Homology Reveals the Role of Stiffness in Forming Topological Glasses in Dense Solutions of Ring Polymers
Shota Goto, Takenobu Nakamura, Davide Michieletto, Kang Kim, Nobuyuki Matubayasi
2024/11/17
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Influence of cholesterol on hydrogen-bond dynamics of water molecules in lipid-bilayer systems at varying temperatures
Kokoro Shikata, Kento Kasahara, Nozomi Morishita Watanabe, Hiroshi Umakoshi, Kang Kim, Nobuyuki Matubayasi
The Journal of Chemical Physics Vol. 161 No. 1 2024/07/03 Research paper (scientific journal)
Publisher: AIP Publishing
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Unveiling interatomic distances influencing the reaction coordinates in alanine dipeptide isomerization: An explainable deep learning approach
Kazushi Okada, Takuma Kikutsuji, Kei-ichi Okazaki, Toshifumi Mori, Kang Kim, Nobuyuki Matubayasi
The Journal of Chemical Physics Vol. 160 No. 17 2024/05/07 Research paper (scientific journal)
Publisher: AIP Publishing
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Scale Separation of Shear-Induced Criticality in Glasses
Norihiro Oyama, Takeshi Kawasaki, Kang Kim, Hideyuki Mizuno
Physical Review Letters Vol. 132 No. 14 2024/04/03 Research paper (scientific journal)
Publisher: American Physical Society (APS)
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Unraveling the Glass-like Dynamic Heterogeneity in Ring Polymer Melts: From Semiflexible to Stiff Chain
Shota Goto, Kang Kim, Nobuyuki Matubayasi
ACS Polymers Au Vol. 3 No. 6 p. 437-446 2023/08/22 Research paper (scientific journal)
Publisher: American Chemical Society (ACS)
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Revealing the hidden dynamics of confined water in acrylate polymers: Insights from hydrogen-bond lifetime analysis
Kokoro Shikata, Takuma Kikutsuji, Nobuhiro Yasoshima, Kang Kim, Nobuyuki Matubayasi
The Journal of Chemical Physics Vol. 158 No. 17 2023/05/01 Research paper (scientific journal)
Publisher: AIP Publishing
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Explaining reaction coordinates of alanine dipeptide isomerization obtained from deep neural networks using Explainable Artificial Intelligence (XAI)
Takuma Kikutsuji, Yusuke Mori, Kei-ichi Okazaki, Toshifumi Mori, Kang Kim, Nobuyuki Matubayasi
The Journal of Chemical Physics Vol. 156 2022/04/19 Research paper (scientific journal)
Publisher: AIP Publishing
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Simulating the nematic-isotropic phase transition of liquid crystal model via generalized replica-exchange method
Kengo Takemoto, Yoshiki Ishii, Hitoshi Washizu, Kang Kim, Nobuyuki Matubayasi
The Journal of Chemical Physics Vol. 156 2022/01/03 Research paper (scientific journal)
Publisher: AIP Publishing
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Effects of chain length on Rouse modes and non-Gaussianity in linear and ring polymer melts
Shota Goto, Kang Kim, Nobuyuki Matubayasi
The Journal of Chemical Physics Vol. 155 No. 12 p. 124901-124901 2021/09/28 Research paper (scientific journal)
Publisher: AIP Publishing
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Breakdown of the Stokes–Einstein relation in supercooled liquids: A cage-jump perspective
Raffaele Pastore, Takuma Kikutsuji, Francesco Rusciano, Nobuyuki Matubayasi, Kang Kim, Francesco Greco
The Journal of Chemical Physics Vol. 155 No. 11 p. 114503-114503 2021/09/16 Research paper (scientific journal)
Publisher: AIP Publishing
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Transition pathway of hydrogen bond switching in supercooled water analyzed by the Markov state model
Takuma Kikutsuji, Kang Kim, Nobuyuki Matubayasi
The Journal of Chemical Physics Vol. 154 No. 23 2021/06/21 Research paper (scientific journal)
Publisher: AIP Publishing
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Understanding the scaling of boson peak through insensitivity of elastic heterogeneity to bending rigidity in polymer glasses
Naoya Tomoshige, Shota Goto, Hideyuki Mizuno, Tatsuya Mori, Kang Kim, Nobuyuki Matubayasi
Journal of Physics: Condensed Matter Vol. 33 No. 27 2021/05/28 Research paper (scientific journal)
Publisher: IOP Publishing
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Learning reaction coordinates via cross-entropy minimization: Application to alanine dipeptide
Yusuke Mori, Kei-ichi Okazaki, Toshifumi Mori, Kang Kim, Nobuyuki Matubayasi
The Journal of Chemical Physics Vol. 153 No. 5 2020/08/07 Research paper (scientific journal)
Publisher: AIP Publishing
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Local Density Fluctuation Governs the Divergence of Viscosity Underlying Elastic and Hydrodynamic Anomalies in a 2D Glass-Forming Liquid
Hayato Shiba, Takeshi Kawasaki, Kang Kim
Physical Review Letters Vol. 123 No. 26 2019/12/23 Research paper (scientific journal)
Publisher: American Physical Society (APS)
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Boson peak, elasticity, and glass transition temperature in polymer glasses: Effects of the rigidity of chain bending
Naoya Tomoshige, Hideyuki Mizuno, Tatsuya Mori, Kang Kim, Nobuyuki Matubayasi
Scientific Reports Vol. 9 No. 1 2019/12 Research paper (scientific journal)
Publisher: Springer Science and Business Media LLC
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Consistency of geometrical definitions of hydrogen bonds based on the two-dimensional potential of mean force with respect to the time correlation in liquid water over a wide range of temperatures
Takuma Kikutsuji, Kang Kim, Nobuyuki Matubayasi
Journal of Molecular Liquids Vol. 294 2019/11 Research paper (scientific journal)
Publisher: Elsevier BV
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Classification of mobile- and immobile-molecule timescales for the Stokes-Einstein and Stokes-Einstein-Debye relations in supercooled water
Kawasaki T, Kim K
ournal of Statistical Mechanics: Theory and Experiment Vol. 2019 No. 8 2019/08 Research paper (scientific journal)
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Spurious violation of the Stokes-Einstein-Debye relation in supercooled water
Kawasaki T, Kim K
Scientific Reports Vol. 9 2019/05 Research paper (scientific journal)
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Diffusion dynamics of supercooled water modeled with the cage-jump motion and hydrogen-bond rearrangement
Takuma Kikutsuji, Kang Kim, Nobuyuki Matubayasi
The Journal of Chemical Physics Vol. 150 No. 20 2019/05 Research paper (scientific journal)
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Bridging the gap between molecular dynamics and hydrodynamics in nanoscale Brownian motions
Mizuta K, Ishii Y, Kim K, Matubayasi N
Soft Matter Vol. 15 No. 21 p. 4380-4390 2019/04 Research paper (scientific journal)
Publisher: Royal Society of Chemistry ({RSC})
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Free-energy analysis of the hydration and cosolvent effects on the β-sheet aggregation through all-atom molecular dynamics simulation.
Masutani K, Yamamori Y, Kim K, Matubayasi N
The Journal of chemical physics Vol. 150 No. 14 2019/04 Research paper (scientific journal)
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How do hydrogen bonds break in supercooled water?: Detecting pathways not going through saddle point of two-dimensional potential of mean force
Kikutsuji T, Kim K, Matubayasi N
The Journal of Chemical Physics Vol. 148 No. 24 2018/06 Research paper (scientific journal)
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Connecting thermodynamic and dynamical anomalies of water-like liquid-liquid phase transition in the Fermi-Jagla model
Saki Higuchi, Daiki Kato, Daisuke Awaji, Kang Kim
Journal of Chemical Physics Vol. 148 No. 9 2018/03/07 Research paper (scientific journal)
Publisher: American Institute of Physics Inc.
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Spatial-decomposition analysis of viscosity with application to Lennard-Jones fluid
Kai-Min Tu, Kang Kim, Nobuyuki Matubayasi
Journal of Chemical Physics Vol. 148 No. 9 2018/03/07 Research paper (scientific journal)
Publisher: American Institute of Physics Inc.
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Lane formation dynamics of oppositely self-driven binary particles: Effects of density and finite system size
Kosuke Ikeda, Kang Kim
Journal of the Physical Society of Japan Vol. 86 No. 4 2017/04/15 Research paper (scientific journal)
Publisher: Physical Society of Japan
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Identifying time scales for violation/preservation of Stokes-Einstein relation in supercooled water
Takeshi Kawasaki, Kang Kim
Science Advances Vol. 3 No. 8 2017 Research paper (scientific journal)
Publisher: American Association for the Advancement of Science
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Unveiling Dimensionality Dependence of Glassy Dynamics: 2D Infinite Fluctuation Eclipses Inherent Structural Relaxation
Hayato Shiba, Yasunori Yamada, Takeshi Kawasaki, Kang Kim
Physical Review Letters Vol. 117 No. 24 2016/12/07 Research paper (scientific journal)
Publisher: American Physical Society
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Tuning pairwise potential can control the fragility of glass-forming liquids: From a tetrahedral network to isotropic soft sphere models
Misaki Ozawa, Kang Kim, Kunimasa Miyazaki
Journal of Statistical Mechanics: Theory and Experiment Vol. 2016 No. 7 2016/07/01 Research paper (scientific journal)
Publisher: Institute of Physics Publishing
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Dynamics in a tetrahedral network glassformer: Vibrations, network rearrangements, and diffusion
Takeshi Kawasaki, Kang Kim, Akira Onuki
Journal of Chemical Physics Vol. 140 No. 18 2014/05/07 Research paper (scientific journal)
Publisher: American Institute of Physics Inc.
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ガラス転移のフラジリティと動的不均一性：モデル依存性の系統的な解析
金 鋼, 斉藤 真司
アンサンブル Vol. 16 No. 2 p. 103-109 2014
Publisher: 分子シミュレーション研究会
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Multiple length and time scales of dynamic heterogeneities in model glass-forming liquids: A systematic analysis of multi-point and multi-time correlations
Kang Kim, Shinji Saito
Journal of Chemical Physics Vol. 138 No. 12 2013/03/28 Research paper (scientific journal)
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Dynamic length scales in glass-forming liquids: An inhomogeneous molecular dynamics simulation approach
Kang Kim, Shinji Saito, Kunimasa Miyazaki, Giulio Biroli, David R. Reichman
Journal of Physical Chemistry B Vol. 117 No. 42 p. 13259-13267 2013 Research paper (scientific journal)
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Slow dynamics of supercooled liquids confined in random pinning fields: Type A-B relaxations and reentrant transition
Kang Kim, Kunimasa Miyazaki, Shiji Saito
AIP Conference Proceedings Vol. 1518 p. 227-231 2013 Research paper (international conference proceedings)
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Hidden slow time scale of correlated motions in supercooled liquids: Multi-time correlation function approach
Kang Kim, Shinji Saito
Journal of Non-Crystalline Solids Vol. 357 No. 2 p. 371-375 2011/01/15 Research paper (international conference proceedings)
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Slow dynamics, dynamic heterogeneities, and fragility of supercooled liquids confined in random media
Kang Kim, Kunimasa Miyazaki, Shinji Saito
Journal of Physics Condensed Matter Vol. 23 No. 23 2011 Research paper (scientific journal)
Publisher: 23
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Molecular dynamics studies of slow dynamics in random media: Type A-B and reentrant transitions
K. Kim, K. Miyazaki, S. Saito
European Physical Journal: Special Topics Vol. 189 No. 1 p. 135-139 2010/10 Research paper (scientific journal)
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Role of the lifetime of dynamical heterogeneity in the frequency-dependent Stokes-Einstein relation of supercooled liquids
Kang Kim, Shinji Saito
Journal of the Physical Society of Japan Vol. 79 No. 9 2010/09 Research paper (scientific journal)
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Multi-time density correlation functions in glass-forming liquids: Probing dynamical heterogeneity and its lifetime
Kang Kim, Shinji Saito
Journal of Chemical Physics Vol. 133 No. 4 2010/07/28 Research paper (scientific journal)
Publisher: 4
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Direct simulation of flowing colloidal dispersions by smoothed profile method
Yasuya Nakayama, Kang Kim, Ryoichi Yamamoto
Advanced Powder Technology Vol. 21 No. 2 p. 206-211 2010/03 Research paper (scientific journal)
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Slow dynamics in random media: Crossover from glass to localization transition
K. Kim, K. Miyazaki, S. Saito
Europhysics Letters Vol. 88 No. 3 2009/11 Research paper (scientific journal)
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Smoothed profile method to simulate colloidal particles in complex fluids
Ryoichi Yamamoto, Yasuya Nakayama, Kang Kim
International Journal of Modern Physics C Vol. 20 No. 9 p. 1457-1465 2009/09 Research paper (scientific journal)
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Multiple time scales hidden in heterogeneous dynamics of glass-forming liquids
Kang Kim, Shinji Saito
Physical Review E - Statistical, Nonlinear, and Soft Matter Physics Vol. 79 No. 6 2009/06/12 Research paper (scientific journal)
Publisher: 6 Pt 1
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Anisotropic cooperative structural rearrangements in sheared supercooled liquids
Akira Furukawa, Kang Kim, Shinji Saito, Hajime Tanaka
Physical Review Letters Vol. 102 No. 1 2009/01/05 Research paper (scientific journal)
Publisher: 1
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On the role of hydrodynamic interactions in colloidal gelation
Ryoichi Yamamoto, Kang Kim, Yasuya Nakayama, Kunimasa Miyazaki, David R. Reichman
Journal of the Physical Society of Japan Vol. 77 No. 8 2008/08 Research paper (scientific journal)
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Simulating (electro)hydrodynamic effects in colloidal dispersions: Smoothed profile method
Y. Nakayama, K. Kim, R. Yamamoto
European Physical Journal E Vol. 26 No. 4 p. 361-368 2008/08 Research paper (scientific journal)
Publisher: 4
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Strict simulations of non-equilibrium dynamics of colloids
Ryoichi Yamamoto, Kang Kim, Yasuya Nakayama
Colloids and Surfaces A: Physicochemical and Engineering Aspects Vol. 311 No. 1-3 p. 42-47 2007/12/01 Research paper (scientific journal)
Publisher: Elsevier
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Simulating electrohydrodynamics in charged colloidal dispersions: A smoothed profile method
Kang Kim, Yasuya Nakayama, Ryoichi Yamamoto
AIP Conference Proceedings Vol. 832 p. 251-256 2006/05/05 Research paper (international conference proceedings)
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Hydrodynamic effects in colloidal dispersions studied by a new efficient direct simulation
Yasuya Nakayama, Kang Kim, Ryoichi Yamamoto
AIP Conference Proceedings Vol. 832 p. 245-250 2006/05/05 Research paper (international conference proceedings)
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KAPSEL: Kyoto advanced particle simulator for electrohydrodynamics ─Toward direct numerical simulations of colloidal dispersions
Ryoichi Yamamoto, Kang Kim, Yasuya Nakayama
KONA Powder and Particle Journal Vol. 24 No. March p. 167-182 2006 Research paper (scientific journal)
Publisher: Hosokawa Powder Technology Foundation
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Direct numerical simulations of electrophoresis of charged colloids
Kang Kim, Yasuya Nakayama, Ryoichi Yamamoto
Physical Review Letters Vol. 96 No. 20 2006 Research paper (scientific journal)
Publisher: 20
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A method to resolve hydrodynamic interactions in colloidal dispersions
Ryoichi Yamamoto, Yasuya Nakayama, Kang Kim
Computer Physics Communications Vol. 169 No. 1-3 p. 301-304 2005/07/01 Research paper (international conference proceedings)
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Efficient simulations of charged colloidal dispersions: A density functional approach
Kang Kim, Ryoichi Yamamoto
Macromolecular Theory and Simulations Vol. 14 No. 4 p. 278-284 2005/05/12 Research paper (scientific journal)
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A Smooth Interface Method for Simulating Liquid Crystal Colloid Dispersions
Yamamoto R, Nakayama Y, Kim K
Journal of Physics: Condensed Matter Vol. 16 p. S1945-S1955 2004/05 Research paper (scientific journal)
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Glass transition of hard sphere systems-molecular dynamics and density functional approaches
Kang Kim, Toyonori Munakata
AIP Conference Proceedings Vol. 708 p. 707-708 2004/04/30 Research paper (international conference proceedings)
Publisher: American Institute of Physics Inc.
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Glass transition of hard sphere systems: molecular dynamics and density functional theory.
Kim K, Munakata T
Physical Review E Vol. 68 No. 2,Pt.1 2003/08 Research paper (scientific journal)
Publisher: 2 Pt 1
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Effects of pinned particles on the structural relaxation of supercooled liquids
K. Kim
Europhysics Letters Vol. 61 No. 6 p. 790-795 2003/03 Research paper (scientific journal)
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Three-body hypernetted-chain equation and its numerical solution
Kang Kim, Toyonori Munakata
Journal of Chemical Physics Vol. 117 No. 1 p. 277-281 2002/07/01 Research paper (scientific journal)
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M-body density functional theory and the generalized hypernetted-chain equation
Toyonori Munakata, Kang Kim
Journal of Chemical Physics Vol. 113 No. 10 p. 3975-3979 2000/09/08 Research paper (scientific journal)
Publisher: American Institute of Physics Inc.
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Heterogeneity and finite size effects in the dynamics of supercooled liquids
R. Yamamoto, K. Kim
Journal de Physique IV Vol. 10 No. PR7 p. Pr7-15 2000/05 Research paper (scientific journal)
Publisher: EDP Sciences
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Apparent finite-size effects in the dynamics of supercooled liquids
Kang Kim, Ryoichi Yamamoto
Physical Review E Vol. 61 No. 1 p. R41-R44 2000/01/01 Research paper (scientific journal)
Publisher: American Physical Society (APS)
