Yukun Bai, Gota Kikugawa, Naoki Kishimoto, Hydrolytic degradation and property aging in highly crosslinked cyanate ester resins: A computational study, Polymer Degradation and Stability, (accepted). doi:10.1016/j.polymdegradstab.2025.111685
Qing-Yao Luo, Donatas Surblys, GotaKikugawa, Taku Ohara, Interfacial Thermal Transport over Solid–Liquid Interfaces Mediated by Heterogeneous Self-Assembled Monolayers: A Molecular Dynamics Study, J. Phys. Chem. B, Vol. 129, pp. 8888–8901 (2025). doi:10.1021/acs.jpcb.5c01889
Yuto Sato, Yoichiro Kurosawa, Takamasa Saito, Eita Shoji, Gota Kikugawa, Donatas Surblys, Atsuki Komiya, Takaaki Tomai, and Masaki Kubo, Evaluation of interfacial affinity between surface-modified metal oxide and solvent mixture using molecular dynamics simulations, Journal of Chemical Physics, Vol. 163, 074702 (2025). doi:10.1063/5.0288662
Yukun Bai, Gota Kikugawa, Naoki Kishimoto, Modeling and moisture uptake analysis of transition metal-catalyzed thermosetting resins via hybrid quantum chemistry and molecular dynamics simulations, Polymer, Vol. 330, 128508 (2025). doi:10.1016/j.polymer.2025.128508
Yoshiaki Kawagoe, Gota Kikugawa, Shohei Komori, Keiichi Shirasu, and Tomonaga Okabe, Thermal oxidative degradation of cyanate- and amine-cured epoxy resins: Experiment and ReaxFF simulation, Thermochimica Acta, Vol. 747, 179949 (2025). doi:10.1016/j.tca.2025.179949
Yukun Bai, Gota Kikugawa, and Naoki Kishimoto, Influence of Monomer Size on CO2 Adsorption and Mechanical Properties in Microporous Cyanate Ester Resins, Polymers, Vol. 17, 148 (2025). doi:10.3390/polym17020148
Shota Arai, Gota Kikugawa, and Takashi Yoshidome, Extraction of Molecular Information from Experimental Data of Liquids using Manifold Learning, Journal of Molecular Liquids, Vol. 414, Part B, 126251 (2024). doi:10.1016/j.molliq.2024.126251
Yingxiao Xi, Hironobu Fukuzawa, Gota Kikugawa, Yinbo Zhao, Yoshiaki Kawagoe, Tomonaga Okabe, Hajime Kishi, Naoki Kishimoto, Enhancing Epoxy Resin Curing: Investigating the Catalytic Role of Water as a Trace Impurity in Dense Crosslinked Network Formation Using an Advanced cat-GRRM/MC/MD Method, Polymer, Vol. 313, 127675 (2024). doi:10.1016/j.polymer.2024.127675
Kaiwen Li, Gota Kikugawa, Yoshiaki Kawagoe, Yinbo Zhao, and Tomonaga Okabe, Determination of interaction parameters in a bottom-up approach employed in reactive dissipative particle dynamics simulation for thermosetting polymers, Soft Matter, Vol. 20, pp. 4591–4607 (2024). doi:10.1039/d3sm01743e
Yinbo Zhao, Gota Kikugawa, Zhengming Huang, and Yan Li, Length effect of short base resin on thermomechanical properties of crosslinked epoxy resin via molecular dynamics simulation, International Journal of Heat and Mass Transfer, Vol. 225, 125400 (2024). doi:10.1016/j.ijheatmasstransfer.2024.125400
Yinbo Zhao, Gota Kikugawa, Keiichi Shirasu, Yoshiaki Kawagoe, and Tomonaga Okabe, Constructing and characterizing various multi-component crosslinked epoxy resins based on molecular dynamics simulations with a curing reaction model, Polymer, Vol. 297, 126817 (2024). doi:10.1016/j.polymer.2024.126817
Yoshiaki Kawagoe, Gota Kikugawa, Keiichi Shirasu, Yuuki Kinugawa, and Tomonaga Okabe, Dissipative particle dynamics simulation for reaction-induced phase separation of thermoset/thermoplastic blend, Journal of Physical Chemistry B, Vol. 128, pp. 2018–2027 (2024). doi:10.1021/acs.jpcb.3c07756
Kiran Rathod, Sai Charan Ravula, Prasanna Sai Chandra Kommireddi, Rahul Thangeda, Gota Kikugawa, Hari Krishna Chilukoti, Predicting thermophysical properties of alkanes and refrigerants using machine learning algorithms, Fluid Phase Equilibria, Vol. 578, 114016 (2024). doi:10.1016/j.fluid.2023.114016
Hiroki Yamaguchi and Gota Kikugawa, Thermal transpiration flow: Molecular dynamics study from dense to dilute gas, Fluids, Vol. 9, 12 (2024). doi.org:10.3390/fluids9010012
Yukun Bai, Yingxiao Xi, Shoji Fukunaga, Gota Kikugawa, and Naoki Kishimoto, Development of a multistep-GRRM/MC/MD simulation method for the formation of crosslinked network structures via multistep reversible reaction pathways, Polymer, Vol. 292, 126606 (2024). doi:10.1016/j.polymer.2023.126606
Keiichi Shirasu, Yudai Yamaguchi, Yamato Hoshikawa, Gota Kikugawa, Hironori Tohmyoh, and Tomonaga Okabe, Micromechanics study of short carbon fiber-reinforced thermoplastics fabricated via 3D printing using design of experiments, Materials Science and Engineering: A, Vol. 891, 145971 (2024). doi:10.1016/j.msea.2023.145971
Yingxiao Xi, Hironobu Fukuzawa, Shoji Fukunaga, Gota Kikugawa, Yinbo Zhao, Yoshiaki Kawagoe, Tomonaga Okabe, and Naoki Kishimoto, Development of cat-GRRM/MC/MD method for the simulation of cross-linked network structure formation with molecular autocatalysis, Molecular Catalysis, Vol. 552, 113680 (2024). doi:10.1016/j.mcat.2023.113680
Takamasa Saito, Masaki Kubo, Takao Tsukada, Eita Shoji, Gota Kikugawa, Donatas Surblys, and Momoji Kubo, Molecular dynamics simulations for interfacial structure and affinity between carboxylic acid-modified Al₂O₃ and polymer melts, Journal of Chemical Physics, Vol. 159, 164708 (2023). doi:10.1063/5.0169721
Takamasa Saito, Ryo Takebayashi, Masaki Kubo, Takao Tsukada, Eita Shoji, Gota Kikugawa, and Donatas Surblys, Effect of surface modifier and solvent on the affinity between the surface-modified solid and organic solvent: A molecular dynamics study, AIP Advances, Vol. 12 (2022), 105206. doi:10.1063/5.0119681
Yinbo Zhao, Gota Kikugawa, Yoshiaki Kawagoe, Keiichi Shirasu, and Tomonaga Okabe, Molecular-scale investigation on relationship between thermal conductivity and the structure of crosslinked epoxy resin, International Journal of Heat and Mass Transfer, Vol. 198 (2022), 123429. doi:10.1016/j.ijheatmasstransfer.2022.123429
Yasutaka Yamaguchi, Hiroki Kusudo, Carlos Bistafa, Donatas Surblys, Takeshi Omori, and Gota Kikugawa, Nanoscale Wetting and Its Connection with Macroscopic Young's Equation, ECS Transactions, Vol. 108 (2022), pp. 93-102. doi:10.1149/10804.0093ecst
川越吉晃, 小森翔平, 菊川豪太, 白須圭ー, 岡部朋永, シアネート硬化工ポキシ樹脂の熱機械特性に関する実験的評価と分子動力学シミュレーション, 日本複合材料学会誌, Vol. 48 (2022), pp. 134-141, (in Japanese). doi:10.6089/jscm.48.134
Yoshiaki Kawagoe, Kenji Kawai, Yuta Kumagaia, Keiichi Shirasa, Gota Kikugawa, Tomonaga Okabe, Multiscale modeling of process-induced residual deformation on carbon-fiber-reinforced plastic laminate from quantum calculation to laminate scale finite-element analysis, Mechanics of materials, Vol. 170 (2022), 104332. doi:10.1016/j.mechmat.2022.104332
Yinbo Zhao, Gota Kikugawa, Yoshiaki Kawagoe, Keiichi Shirasu, Naoki Kishimoto, Yingxiao Xi and Tomonaga Okabe, Uncovering the mechanism of size effect on thermomechanical properties of highly crosslinked epoxy resin, Journal of Physical Chemistry B, Vol. 126 (2022), pp. 2593 - 2607. doi:10.1021/acs.jpcb.1c10827
Yutaka Oya, Gota Kikugawa, Tomonaga Okabe, and Toshihiro Kawakatsu, Density functional theory for polymer phase separations induced by coupling of chemical reaction and elastic stress, Advanced Theory and Simulations, Vol. 5 (2022), 2100385. doi:10.1002/adts.202100385
Donatas Surblys, Hiroki Matsubara, Gota Kikugawa, and Taku Ohara, Methodology and meaning of computing heat flux via atomic stress in systems with constraint dynamics, Journal of Applied Physics, Vol. 130 (2021), 215104. doi:10.1063/5.0070930
Yoshiaki Kawagoe, Gota Kikugawa, Keiichi Shirasu, and Tomonaga Okabe, Thermoset resin curing simulation using quantum-chemical reaction path calculation and dissipative particle dynamics, Soft Matter, Vol. 17 (2021), pp. 6707–6717. doi:10.1039/d1sm00600b
Takamasa Saito, Eita Shoji, Masaki Kubo, Takao Tsukada, Gota Kikugawa, and Donatas Surblys, Evaluation of the work of adhesion at the interface between a surface-modified metal oxide and an organic solvent using molecular dynamics simulations, Journal of Chemical Physics, Vol. 154 (2021), 114703. doi:10.1063/5.0040900
Leton Chandra Saha and Gota Kikugawa, Heat conduction performance over a poly(ethylene glycol) self-assembled monolayer/water interface: A molecular dynamics study, Journal of Physical Chemistry B, Vol. 125 (2021), pp. 1896–1905. doi:10.1021/acs.jpcb.0c09385
Nobuyuki Odagiri, Keiichi Shirasu, Yoshiaki Kawagoe, Gota Kikugawa, Yutaka Oya, Naoki Kishimoto, Fumio Ohuchi and Tomonaga Okabe, Amine/epoxy stoichiometric ratio dependence of crosslinked structure and ductility in amine-cured epoxy thermosetting resins, Journal of Applied Polymer Science, Vol. 138 (2021), 50542. doi:10.1002/app.50542
Hiroki Yamaguchi and Gota Kikugawa, Molecular dynamics study on flow structure inside a thermal transpiration flow field, Physics of Fluids, Vol. 33 (2021), 012005. doi:10.1063/5.0034146
Hiroki Matsubara, Gota Kikugawa, and Taku Ohara, Comparison of molecular heat transfer mechanisms between water and ammonia in the liquid states, International Journal of Thermal Sciences, Vol. 161 (2021), 106762. doi:10.1016/j.ijthermalsci.2020.106762
Yutaka Oya, Masahiro Nakazawa, Keiichi Shirasu, Yuki Hino, Inuyama Kyosuke, Gota Kikugawa, Jing Li, Riichi Kuwahara, Naoki Kishimoto, Hiroki Waizumi, Masaaki Nishikawa, Anthony Waas, Nobuyuki Odagiri, Andrew Koyanagi, Marco Salviato, and Tomonaga Okabe, Molecular dynamics simulation of cross-linking processes and material properties for epoxy resins using first-principle calculation combined with global reaction route mapping algorithms, Chemical Physics Letters, Vol. 762 (2021), 138104. doi:10.1016/j.cplett.2020.138104
Kei Kuriya, Kotaro Ochiai, Golap Kalita, Masaki Tanemura, Atsuki Komiya, Gota Kikugawa, Taku Ohara, Ichiro Yamashita, Fumio S. Ohuchi, M. Meyyappan, Seiji Samukawa, Katsuyoshi Washio, and Takeru Okada, Output density quantification of electricity generation by flowing deionized water on graphene, Applied Physics Letters, Vol. 117 (2020), 123905. doi:10.1063/5.0018862
Yoshiaki Kawagoe, Donatas Surblys, Hiroki Matsubara, Gota Kikugawa, and Taku Ohara, Cross-plane and in-plane heat conductions in layer-by-layer membrane: Molecular dynamics study, Langmuir, Vol. 36 (2020), pp. 6482–6493. doi:10.1021/acs.langmuir.0c00845
Yue Huang, Jingtian Zhang, Edwin S. Jiang, Yutaka Oya, Akinori Saeki, Gota Kikugawa, Tomonaga Okabe, and Fumio S. Ohuchi, Structure−property correlation study for organic photovoltaic polymer materials using data science approach, Journal of Physical Chemistry C, Vol. 124 (2020), pp. 12871-12882. doi:10.1021/acs.jpcc.0c00517
Hiroki Matsubara, Gota Kikugawa, Takeshi Bessho, and Taku Ohara, Evaluation of thermal conductivity and its structural dependence of a single nanodiamond using molecular dynamics simulation, Diamond and Related Materials, Vol. 102 (2020), 107669. doi: 10.1016/j.diamond.2019.107669
Xiao Liu, Donatas Surblys, Yoshiaki Kawagoe, Abdul Rafeq Bin Saleman, Hiroki Matsubara, Gota Kikugawa, Taku Ohara, A molecular dynamics study of thermal boundary resistance over solid interfaces with an extremely thin liquid film, International Journal of Heat and Mass Transfer, Vol 147 (2020), 118949. doi:10.1016/j.ijheatmasstransfer.2019.118949
Jimin Qian, Nam Phuong Nguyen, Yutaka Oya, Gota Kikugawa, Tomonaga Okabe, Yue Huang, and Fumio S. Ohuchi, Introducing self-organized maps (SOM) as a visualization tool for materials research and education, Results in Materials, Vol. 4 (2019), 100020. doi:10.1016/j.rinma.2019.100020
Yoshiaki Kawagoe, Donatas Surblys, Hiroki Matsubara, Gota Kikugawa, and Taku Ohara, Construction of polydisperse polymer model and investigation of heat conduction: A molecular dynamics study of linear and branched polyethylenimine, Polymer, Vol. 180 (2019), 121721. doi.org:10.1016/j.polymer.2019.121721
Donatas Surblys, Hiroki Matsubara, Gota Kikugawa, and Taku Ohara, Application of atomic stress to compute heat flux via molecular dynamics for systems with many-body interactions, Physical Review E, Vol. 99 (2019), 051301(R). doi:10.1103/PhysRevE.99.051301
Gota Kikugawa, Yuta Nishimura, Koji Shimoyama, Taku Ohara, Tomonaga Okabe, and Fumio S. Ohuchi, Data analysis of multi-dimensional thermophysical properties of liquid substances based on clustering approach of machine learning, Chemical Physics Letters, Vol. 728 (2019), pp. 109-114. doi:10.1016/j.cplett.2019.04.075
Hiroki Matsubara, Gota Kikugawa, and Taku Ohara, All- and one-particle distribution functions at non-equilibrium steady state under thermal gradient, Physical Review E, Vol. 99 (2019), 052110. doi:10.1103/PhysRevE.99.052110
Yoshiaki Kawagoe, Donatas Surblys, Gota Kikugawa, and Taku Ohara, Molecular dynamics study on thermal energy transfer in bulk polyacrylic acid, AIP Advances, Vol. 9 (2019), 025302. doi:10.1063/1.5080432
Yasutaka Yamaguchi, Hiroki Kusudo, Donatas Surblys, Takeshi Omori, and Gota Kikugawa, Interpretation of Young’s equation for a liquid droplet on a flat and smooth solid surface: Mechanical and thermodynamic routes with a simple Lennard-Jones liquid, Journal of Chemical Physics, Vol. 150 (2019), 044701. doi:10.1063/1.5053881
Abdul Rafeq bin Saleman, Hari Krishna Chilukoti, Gota Kikugawa, Taku Ohara, A molecular dynamics study on the thermal rectification effect at the solid-liquid interfaces between the face-centered cubic (FCC) of gold (Au) with the surfaces of (100), (110) and (111) crystal planes facing the liquid methane (CH4), Molecular Simulation, Vol. 45 (2019), pp. 68-79. doi:10.1080/08927022.2018.1535177
Hiroki Matsubara, Gota Kikugawa, Mamoru Ishikiriyama, Seiji Yamashita, and Taku Ohara, Microscopic Picture of Heat Conduction in Liquid Ethylene Glycol by Molecular Dynamics Simulation: Difference from the monohydric case, International Journal of Heat and Mass Transfer, Vol. 121 (2018), pp. 1033-1038. doi:10.1016/j.ijheatmasstransfer.2018.01.060
Hiroki Matsubara, Gota Kikugawa, Mamoru Ishikiriyama, Seiji Yamashita, and Taku Ohara, Equivalence of the EMD- and NEMD-based decomposition of thermal conductivity into microscopic building blocks, Journal of Chemical Physics, Vol. 147 (2017), 114104. doi:10.1063/1.4990593
Abdul Rafeq bin Saleman, Hari Krishna Chilukoti, Gota Kikugawa, Masahiko Shibahara, and Taku Ohara, A molecular dynamics study on the thermal energy transfer and momentum transfer at the solid-liquid interfaces between gold and sheared liquid alkanes, International Journal of Thermal Sciences, Vol. 120 (2017), pp. 273-288. doi:10.1016/j.ijthermalsci.2017.06.014
Hiroki Matsubara, Gota Kikugawa, Takeshi Bessho, Seiji Yamashita, and Taku Ohara, Understanding the chain length dependence of thermal conductivity of liquid alcohols at 298 K on the basis of molecular-scale energy transfer, Fluid Phase Equilibria, Vol. 441 (2017), pp. 24-32. doi:10.1016/j.fluid.2016.12.019
Yutaka Oya, Gota Kikugawa, and Tomonaga Okabe, Clustering approach for multidisciplinary optimum design of cross-linked polymer, Macromolecular Theory and Simulations, Vol. 27 (2017), 1600072. doi:10.1002/mats.201600072 (selected paper for the cover picture)
Hiroki Matsubara, Gota Kikugawa, Takeshi Bessho, Seiji Yamashita, and Taku Ohara, Molecular dynamics study on the role of hydroxyl groups in heat conduction in liquid alcohols, International Journal of Heat and Mass Transfer, Vol. 108, Part A (2017), pp. 749–759. doi:10.1016/j.ijheatmasstransfer.2016.12.045
Abdul Rafeq bin Saleman, Chilukoti Hari Krishna, Gota Kikugawa, Masahiko Shibahara, and Taku Ohara, A molecular dynamics study on the thermal transport properties and the structure of the solid-liquid interfaces between Face Centered Cubic (FCC) crystal planes of gold in contact with linear alkane liquids, International Journal of Heat and Mass Transfer, Vol. 105 (2017), pp. 168-179. doi:10.1016/j.ijheatmasstransfer.2016.09.069
Shih-Wei Hung, Gota Kikugawa, and Junichiro Shiomi, Mechanism of temperature dependent thermal transport across the interface between self-assembled monolayer and water, Journal of Physical Chemistry C, Vol. 120 (2016), pp. 26678–26685. doi:10.1021/acs.jpcc.6b09516
Hari Krishna Chilukoti, Gota Kikugawa, and Taku Ohara, Mass Transport and Structure of Liquid n-Alkane Mixtures in the Vicinity of α-Quartz Substrate, RSC Advances, Vol. 6 (2016), 99704-99713. doi:10.1039/C6RA22398B
Yingping Fang, Gota Kikugawa, Hiroki Matsubara, Takeshi Bessho, Seiji Yamashita, and Taku Ohara, Molecular Thermal Energy Transfer in Binary Mixture of Simple Liquids, Fluid Phase Equilibria, Vol. 429 (2016), pp. 293-300. doi:10.1016/j.fluid.2016.09.013
Hari Krishna Chilukoti, Gota Kikugawa, and Taku Ohara, Structure and Mass Transport Characteristics at the Intrinsic Liquid-Vapor Interfaces of Alkanes, Journal of Physical Chemistry B, Vol. 120 (2016), pp 7207–7216. doi: 10.1021/acs.jpcb.6b05332
Tomonaga Okabe, Yutaka Oya, Koichi Tanabe, Gota Kikugawa, and Kenichi Yoshioka, Molecular Dynamics Simulation of Closslinked Epoxy Resins: Curing and Mechanical Properties, European Polymer Journal, Vol. 80, (2016), pp. 78-88. doi:10.1016/j.eurpolymj.2016.04.019
Hiroki Matsubara, Gota Kikugawa, Takeshi Bessho, Seiji Yamashita, and Taku Ohara, Non-equilibrium molecular dynamics simulation as a method of calculating thermodynamic coefficients, Fluid Phase Equilibria, Vol.421 (2016), pp. 1-8. doi:10.1016/j.fluid.2016.03.019
Hari Krishna Chilukoti, Gota Kikugawa, and Taku Ohara, Self-diffusion coefficient and structure of binary n-alkane mixtures at the liquid-vapor interfaces, Journal of Physical Chemistry B, Vol. 119 (2015), pp. 13177 -13184. doi:10.1021/acs.jpcb.5b07189
Jo Suzuki, Gota Kikugawa, Takeo Nakano, and Taku Ohara, Kinetic model for transport of liquid molecules in the solid-liquid interface region: a molecular dynamics view, JSME Mechanical Engineering Letters, Vol.1 (2015), 15-00353. doi:10.1299/mel.15-00353
Gota Kikugawa, Takeo Nakano, and Taku Ohara, Hydrodynamic consideration of the finite size effect on the self-diffusion coefficient in a periodic rectangular parallelepiped system, Journal of Chemical Physics, Vol. 143 (2015), 024507. doi:10.1063/1.4926841
Hari Krishna Chilukoti, Gota Kikugawa, Masahiko Shibahara, and Taku Ohara, Local thermal transport of liquid alkanes in the vicinity of alpha-quartz solid surfaces and thermal resistance over the interfaces: A molecular dynamics study, Physical Review E, Vol. 91 (2015), 052404. doi:10.1103/PhysRevE.91.052404
Hiroki Matsubara, Gota Kikugawa, Takeshi Bessho, Seiji Yamashita, and Taku Ohara, Effects of molecular structure on microscopic heat transport in chain polymer liquids, Journal of Chemical Physics, Vol. 142 (2015), 164509. doi:10.1063/1.4919313
Yoichi Naruke, Shuichi Kosaka, Takeo Nakano, Gota Kikugawa, and Taku Ohara, A molecular dynamics study on mass transport characteristics in the vicinity of SiO2-water/IPA interfaces, International Journal of Heat and Mass Transfer, Vol. 84 (2015), pp. 584-591. doi:10.1016/j.ijheatmasstransfer.2015.01.051
Gota Kikugawa, Shotaro Ando, Jo Suzuki, Yoichi Naruke, Takeo Nakano, and Taku Ohara, Effect of the computational domain size and shape on the self-diffusion coefficient in a Lennard-Jones liquid, Journal of Chemical Physics, Vol. 142 (2015), 024503. doi:10.1063/1.4905545
Hari Krishna Chilukoti, Gota Kikugawa, and Taku Ohara, Structure and transport properties of liquid alkanes in the vicinity of α-quartz surfaces, International Journal of Heat and Mass Transfer, Vol. 79 (2014), pp. 846–857. doi:10.1016/j.ijheatmasstransfer.2014.08.089
Gota Kikugawa, Taku Ohara, Tohru Kawaguchi, Ikuya Kinefuchi, and Yoichiro Matsumoto, A molecular dynamics study on heat conduction characteristics inside the alkanethiolate SAM and alkane liquid, International Journal of Heat and Mass Transfer, Vol. 78 (2014), pp. 630–635. doi:10.1016/j.ijheatmasstransfer.2014.07.040
Gota Kikugawa, Taku Ohara, Tohru Kawaguchi, Ikuya Kinefuchi, and Yoichiro Matsumoto, A Molecular Dynamics Study on Heat Transfer Characteristics Over the Interface of Self-Assembled Monolayer and Water Solvent, ASME Journal of Heat Transfer, Vol. 136 (2014), 102401. doi:10.1115/1.4027910
Gota Kikugawa, Tapan G. Desai, Pawel Keblinski, and Taku Ohara, Effect of crosslink formation on heat conduction in amorphous polymers, Journal of Applied Physics, Vol. 114 (2013), 034302. doi:10.1063/1.4813505
Hari Krishna Chilukoti, Gota Kikugawa, and Taku Ohara, Investigation of Interfacial Properties at α-Quartz/Alkane Interfaces Using Molecular Dynamics Simulations, International Journal of Advanced Research in Engineering and Technology, Vol. 4 (2013), pp. 68-76. weblink to slideshare
Takeo Nakano, Gota Kikugawa, and Taku Ohara, Molecular Heat Transfer in Lipid Bilayers with Symmetric and Asymmetric Tail Chains, ASME Journal of Heat Transfer, Vol. 135 (2013), 061301. doi:10.1115/1.4023572
Hari Krishna Chilukoti, Gota Kikugawa, and Taku Ohara, A Molecular Dynamics Study on Transport Properties and Structure at the Liquid-Vapor Interfaces of Alkanes, International Journal of Heat and Mass Transfer, Vol.59 (2013), pp.144-154. doi:10.1016/j.ijheatmasstransfer.2012.12.015
T. Ohara, S. Matsubara, H. Kadowaki, G. Kikugawa, K. Takeshita and T. Hamada, Thickness Uniformity of Spin Coated Film Influenced by Nonuniform Temperature of Substrates, International Journal of Emerging Multidisciplinary Fluid Sciences, Vol. 2 (2011), pp.215-232. doi:10.1260/1756-8315.2.4.215
小田川雅人, 竹島由里子, 藤代一成, 菊川豪太, 小原拓, GPUを用いた適応的粒子系可視化, 日本機械学会論文集B編, Vol. 77 (2011), pp.1767-1778, (in Japanese). doi:10.1299/kikaib.77.1767
H. Berro, N. Fillot, P. Vergne, T. Tokumasu, T. Ohara, and G. Kikugawa, Energy Dissipation in Non-Isothermal Molecular Dynamics Simulations of Confined Liquids under Shear, Journal of Chemical Physics, Vol. 135 (2011), 134708. doi:10.1063/1.3644938
Taku Ohara, Tan Chia Yuan, Daichi Torii, Gota Kikugawa, and Naohiro Kosugi, Heat conduction in chain polymer liquids: Molecular dynamics study on the contributions of inter- and intramolecular energy transfer, Journal of Chemical Physics, Vol. 135 (2011), 034507. doi:10.1063/1.3613648
Takeo Nakano, Gota Kikugawa, and Taku Ohara, A Molecular Dynamics Study on Heat Conduction Characteristics in DPPC Lipid Bilayer, Journal of Chemical Physics, Vol. 133 (2010), 154705. doi:10.1063/1.3481650
タンチアユアン, 鳥居大地, 小杉直央, 菊川豪太, 小原拓, 長鎖ポリマー液体の熱伝導率: 分子間及び分子内エネルギー伝搬の寄与についての分子動力学的研究, 熱物性, Vol. 24 (2010), pp. 134-140, (in Japanese). doi:10.2963/jjtp.24.134
川口 暢, 菊川 豪太, 杵淵 郁也, 八束 真一, 小原 拓, 松本 洋一郎, 非平衡分子動力学法を用いた親水性末端基を有する自己組織化膜と水の界面熱抵抗の解析, 日本機械学会論文集C編, 76巻, 768号 (2010), pp. 1936-1938, (in Japanese). weblink to CINII
Rossen Apostolov, Yasushige Yonezawa, Daron M. Standley, Gota Kikugawa, Yu Takano, and Haruki Nakamura, Membrane Attachment Facilitates Ligand Access to the Active Site in Monoamine Oxidase A, Biochemistry, Vol.48 (2009), pp. 5864–5873. doi:10.1021/bi900493n
菊川豪太, 小原拓, 川口暢, 鳥越栄一, 萩原康正, 松本洋一郎, SAM–溶媒界面の界面熱抵抗に関する分子動力学的研究, 日本機械学会論文集B, 第75巻, 第749 (2009), pp.146-154, (in Japanese). weblink to CINII
Gota Kikugawa, Taku Ohara, Toru Kawaguchi, Eiichi Torigoe, Yasumasa Hagiwara, Yoichiro Matsumoto, A molecular dynamics study on heat transfer characteristics at the interfaces of alkanethiolate self-assembled monolayer and organic solvent, Journal of Chemical Physics, Vol.130 (2009), 074706. doi:10.1063/1.3077315
Gota Kikugawa, Rossen Apostolov, Narutoshi Kamiya, Makoto Taiji, Ryutaro Himeno, Nakamura Haruki, Yonezawa Yasushige, Application of MDGRAPE-3, a Special Purpose Board for Molecular Dynamics Simulations, to Periodic Biomolecular Systems, Journal of Computational Chemistry, Vol.30 (2009), pp. 110-118. doi:10.1002/jcc.21035
Takeo Nakano, Taku Ohara, Gota Kikugawa, Study on molecular thermal energy transfer in a lipid bilayer, Journal of Thermal Science and Technology, Vol.3 (2008), pp. 421-429. doi:10.1299/jtst.3.421
Gota Kikugawa, Shu Takagi, Yoichiro Matsumoto, Taku Ohara, A molecular dynamics study on local structure of liquid-vapor interface of water and L-J fluid, Journal of Thermal Science and Technology, Vol.3 (2008), pp. 234-240. doi:10.1299/jtst.3.234
Gota Kikugawa, Shu Takagi and Yoichiro Matsumoto, A molecular dynamics study on liquid-vapor interface absorbed by impurities, Computers and Fluids, Vol.36 (2007), pp. 69-76. doi:10.1016/j.compfluid.2005.07.007
菊川豪太, 高木周, 松本洋一郎, ミクロスケールにおける気液界面の局所・瞬時的定義について, 日本機械学会論文集B, 第73巻, 第725号 (2007), pp.118-125, (in Japanese). doi:10.1299/kikaib.73.118
Haruta Inukai, Hiroki Kusudo, Yoshiyuki Tagawa, Gota Kikugawa, A molecular dynamics study of jet ejection from nanoscale meniscus of argon liquid, Proceedings of Third Pacific Rim Thermal Engineering Conference, Hawaii, USA, (2024), PRTERC-24214, (available online).
Hiroki Kusudo, Takeshi Omori, Laurent Joly, Yasutaka Yamaguchi, Gota Kikugawa, The receding contact line is cooling during dynamic wetting, Proceedings of the 3rd Asian Conference of Thermal Sciences, Shanghai, China, (2024), O-0458, pp. 520-521, (in Flash memory).
Kaiwen Li and Gota Kikugawa, Exploring structural and thermophysical properties of crosslinked polymers: DPD simulations at varied coarse-graining expressions, Proceedings of the 3rd Asian Conference of Thermal Sciences, Shanghai, China, (2024), O-0374, pp. 430-431, (in Flash memory).
Gota Kikugawa, Leton Chandra Saha, Takashi Yagi, Yuichiro Yamashita, Masahide Sato, and Taku Ohara, Thermal conduction over PEG-terminated SAM/water interface with different SAM chain lengths, Proceedings of the 2nd Asian Conference on Thermal Science, Fukuoka (online), Japan, (2021), 20312, (available online).
Yinbo Zhao, Gota Kikugawa, Naoki Kishimoto, Yoshiaki Kawagoe, Keiichi Shirasu, and Tomonaga Okabe, Relation between the internal molecular structure and thermomechanical properties of multi-component epoxy resin, Proceedings of the 2nd Asian Conference on Thermal Science, Fukuoka (online), Japan, (2021), 20311, (available online).
Donatas Surblys, Hiroki Matsubara, Gota Kikugawa, and Taku Ohara, Obtaining heat flux via atomic stress in systems with many-body interactions and constrained dynamics, Proceedings of the 2nd Asian Conference on Thermal Science, Fukuoka (online), Japan, (2021), 20321, (available online).
Shinsuke Kokubo, Hiroki Matsubara, Donatas Surblys, Gota Kikugawa, and Taku Ohara, Effect of molecular structure and molecular scale interaction on thermal conductivity of fluorocarbon liquids: A molecular dynamics study, Proceedings of the 2nd Asian Conference on Thermal Science, Fukuoka (online), Japan, (2021), 20322, (available online).
Gota Kikugawa, Naoki Minami, Yingping Fang, Mitsuru Nemoto, Hiroki Matsubara, and Taku Ohara, A Molecular dynamics study on thermophysical and transport properties of fluorinated alkane liquids, Proceedings of the 16th International Heat Transfer Conference, Beijing, China, (2018), IHTC16-23336, (in Flash memory).
Mamoru Hirasawa, Gota Kikugawa, Takeo Nakano, and Taku Ohara, Kinetic model for molecular transport of liquid mixtures in the vicinity of solid-liquid interfaces, Proceedings of the 16th International Heat Transfer Conference, Beijing, China, (2018), IHTC16-22176, (in Flash memory).
Gota Kikugawa, Mitsuru Nemoto, and Taku Ohara, Thermal boundary conductance and energy transfer modes over the interfaces of various self-assembled monolayers and solvents: A molecular dynamics study, Proceedings of the 9th JSME-KSME Thermal and Fluids Engineering Conference, Okinawa, Japan, (2017), TFEC9-1529, (in Flash memory).
Abdul Rafeq bin Saleman, Hari Krishna Chilukoti, Gota Kikugawa, and Taku Ohara, Thermal rectification effects on solid-liquid interfaces between face-centered cubic (FCC) lattice and a simple liquid, Proceedings of the Asian Conference on Thermal Sciences 2017, Jeju, Korea, (2017), ACTS-P00074, (available on website).
Gota Kikugawa, Mitsuru Nemoto, and Taku Ohara, Thermal energy transport over the solvent interface of self-assembled monolayers with different fluorination, Proceedings of the Asian Conference on Thermal Sciences 2017, Jeju, Korea, (2017), ACTS-P00736, (available on website).
Abdul Rafeq Saleman, Hari Krishna Chilukoti, Gota Kikugawa, and Taku Ohara, Thermal rectification over solid-liquid interfaces of gold (Au) contacting liquid methane (CH4), Proceedings of the 4th International Forum on Heat Transfer, Sendai, Japan, (2016), IFHT2016-1890, (in Flash memory).
Satoru Harada, Gota Kikugawa, and Taku Ohara, Molecular dynamics mechanism to determine viscosity of thermal medium liquids, Proceedings of the 4th International Forum on Heat Transfer, Sendai, Japan, (2016), IFHT2016-1889, (in Flash memory).
Mitsuru Nemoto, Gota Kikugawa, Takeshi Bessho, Seiji Yamashita, and Taku Ohara, Molecular mechanism for thermal boundary conductance over fluorinated SAM-solvent interfaces, Proceedings of the 4th International Forum on Heat Transfer, Sendai, Japan, (2016), IFHT2016-1876, (in Flash memory).
Yoichi Naruke, Jo Suzuki, Takeo Nakano, Gota Kikugawa, and Taku Ohara, A molecular dynamics study on molecular diffusion in liquids of water and IPA in the vicinity of solid surfaces and in liquid mixture, Proceedings of First Pacific Rim Thermal Engineering Conference, Hawaii, USA, (2016), PRTERC-14912, (in Flash memory).
Hari Krishna Chilukoti, Gota Kikugawa, and Taku Ohara, Structure and transport properties at the liquid-vapor interfaces of binary n-alkane mixtures, Proceedings of the 25th International Symposium on Transport Phenomena, Krabi, Thailand, (2014), Paper 165, (in Flash memory).
Hari Krishna Chilukoti, Gota Kikugawa, Masahiko Shibahara, and Taku Ohara, Investigation of Thermal Resistance and Heat Conduction at α-Quartz-Liquid Alkane Interfaces Using Nonequilibrium Molecular Dynamics Simulations, Proceedings of the 15th International Heat Transfer Conference, Kyoto, Japan, (2014), IHTC15-9459, (in Flash memory).
Hari Krishna Chilukoti, Gota Kikugawa, and Taku Ohara, Study of Alkane Chain Length Influence on Structure and Dynamic Properties at Intrinsic Liquid-vapour Interfaces, Proceedings of the 12th International Conference on Fluid Control, Measurements, and Visualization, Nara, Japan, (2013), OS16-04-4, (in Flash memory).
Yoichi Naruke, Gota Kikugawa, Takeshi Bessho, Satoshi Takata, and Taku Ohara, Thermal Transport Characteristics over the Interface of Alkanethiol SAM on a Copper Substrate and Water Solvent, Proceedings of the 12th International Conference on Fluid Control, Measurements, and Visualization, Nara, Japan, (2013), OS16-04-3, (in Flash memory).
Hari Krishna Chilukoti, Gota Kikugawa, and Taku Ohara, A molecular dynamics study on effect of temperature on diffusion in the vicinity of an α-quartz surface /alkane interfaces, Proceedings of the 4th International Symposium on Micro and Nano Technology, Shanghai, China, (2013), ID-105, (in CD-ROM).
Joji Haneda, Gota Kikugawa, and Taku Ohara, Molecular Dynamics Mechanism of Thermal Energy Transport in Liquid Methane Reproduced by All-Atom and United-Atom Models, Proceedings of the 4th International Symposium on Micro and Nano Technology, Shanghai, China, (2013), ID-89, (in CD-ROM).
Yoichi Naruke, Shuichi Kosaka, Takeo Nakano, Gota Kikugawa, and Taku Ohara, A Molecular Dynamics Study on Mass Transport Properties in the Vicinity of SiO2-Water/IPA Interfaces, Proceedings of the 4th International Symposium on Micro and Nano Technology, Shanghai, China, (2013), ID-84, (in CD-ROM).
Gota Kikugawa, Pawel Keblinski, and Taku Ohara, Heat Conduction in Amorphous Polymers with Crosslink Formation, Proceedings of the 4th International Symposium on Micro and Nano Technology, Shanghai, China, (2013), ID-71, (in CD-ROM).
Gota Kikugawa, Taku Ohara, Tohru Kawaguchi, Ikuya Kinefuchi, and Yoichiro Matsumoto, Heat Transfer Characteristics over the Interface of Alkanethiolate SAM and Alkane Liquid, Proceedings of the ASME 2013 Summer Heat Transfer Conference, Minneapolis, USA, (2013), HT2013-17607, (in CD-ROM).
Takeo Nakano, Shuichi Kosaka, Gota Kikugawa, and Taku Ohara, Mass Transport Characteristics of Water/IPA at Silica-Liquid Interfaces, Proceedings of the ASME 2013 11th International Conference on Nanochannels, Microchannels, and Minichannels, Sapporo, Japan, (2013), ICNMM2013-73195, (in CD-ROM).
Hari Krishna Chilukoti, Gota Kikugawa, and Taku Ohara, Investigation of Interfacial Properties at α-Quartz/Alkane Interfaces Using Molecular Dynamics Simulations, Proceedings of the 2nd International Conference on Advancements in Engineering and Management, Chevella, India, (2013), (in CD-ROM).
Hari Krishna Chilukoti, Gota Kikugawa, and Taku Ohara, Molecular Dynamics Simulation of Liquid-Vapor Interfacial Properties of n-Alkanes, Proceedings of the 3rd International Forum on Heat Transfer, Nagasaki, Japan, (2012), IFHT2012-091, (in Flash memory).
S. Kosaka, G. Kikugawa, T. Nakano, and T. Ohara, A Molecular Dynamics Study on Molecular Scale Structure and Mass Transport Properties in the Vicinity of SiO2-Water/IPA Interfaces, Proceedings of the 3rd International Forum on Heat Transfer, Nagasaki, Japan, (2012), IFHT2012-069, (in Flash memory).
Takeo Nakano, Gota Kikugawa and Taku Ohara, Effect of Alkyl Chain Length on Molecular Heat Transfer Characteristics in Lipid Bilayers, Proceedings of the ASME/JSME 2011 8th Thermal Engineering Joint Conference, Hawaii, USA, (2011), AJTEC2011-44478, (in CD-ROM).
Gota Kikugawa, Taku Ohara, Toru Kawaguchi, Ikuya Kinefuchi, and Yoichiro Matsumoto, A Molecular Dynamics Study on Heat Transfer Characteristics over the Interface of Self-Assembled Monolayer and Water Solvent, Proceedings of the ASME/JSME 2011 8th Thermal Engineering Joint Conference, Hawaii, USA, (2011), AJTEC2011-44478, (in CD-ROM).
Gota Kikugawa, Taku Ohara, Toru Kawaguchi, Ikuya Kinefuchi, and Yoichiro Matsumoto, Heat Transfer Characteristics at the SAM Interface with Water and Alkane Solvents, Proceedings of Joint International Symposia on 3rd Micro & Nano Technology and Micro/Nanoscale Energy Conversion & Transport - 2010, Seoul, Korea, (2010), pp. 116-118.
Touru Kawaguchi, Gota Kikugawa, Ikuya Kinefuchi, Taku Ohara, Shinichi Yatuzuka, and Yoichiro Matsumoto, Molecular Dynamics Study of International Thermal Resistance of Mercapto-Alkanol Self-Assembled Monolayer and Water, Proceedings of the ASME 2009 2nd Micro/Nanoscale Heat & Mass Transfer International Conference, Shanghai, China, (2009), MNHMT2009-18424, (in CD-ROM).
Gota Kikugawa, Takato Mochimaru, Taku Ohara, Toru Kawaguchi and Yoichiro Matsumoto, Heat transfer characteristics inside the SAM layer and at the SAM interfaces with organic solvents, The Proceedings of Asian Symposium on Computational Heat Transfer and Fluid Flow 2009, Jeju, Korea, Vol. 2 (2009), pp. 225-229.
Takeo Nakano, Gota Kikugawa and Taku Ohara, A molecular dynamics study on lipid bilayers in shear flows, The Proceedings of Asian Symposium on Computational Heat Transfer and Fluid Flow 2009, Jeju, Korea, Vol. 2 (2009), pp. 220-224.
Gota Kikugawa, Shu Takagi, Yoichiro Matsumoto, and Taku Ohara, A molecular dynamics study on the local structure of liquid-vapor interface of water and L-J fluid, Proceedings of 2007 ASME-JSME Thermal Engineering Summer Heat Conference, Vancouver, Canada, (2007), (in CD-ROM).
Takeo Nakano, Taku Ohara, and Gota Kikugawa, Study on molecular thermal energy transfer in a lipid bilayer, Proceedings of 2007 ASME-JSME Thermal Engineering Summer Heat Conference, Vancouver, Canada, (2007), (in CD-ROM).
Gota Kikugawa, Shu Takagi, and Yoichiro Matsumoto, A novel definition of the local and instantaneous liquid-vapor interface, Proceedings of an IUTAM Symposium held at Argonne National Laboratory, Vol. 81 (2006), pp. 131-140, Springer.
Gota Kikugawa, Shu Takagi, and Yoichiro Matsumoo, Surfactant effect on the instability of nanobubbles, The 5th JSME-KSME Fluid Engineering Conference, Nagoya, Japan, (2002), (in CD-ROM).
菊川豪太, 界面への有機分子修飾による熱伝導の促進とその分子設計, 化学と教育, Vol. 69 (2021), pp. 524-527, (in Japanese).
大矢豊大, 菊川豪太, 自己組織化マップを用いた多目的材料設計, 日本接着学会誌, Vol. 56 (2020), pp. 423-430, (in Japanese).
菊川豪太, 閉じ込め液体系における自己拡散係数への有限サイズ効果, アンサンブル, Vol. 20 (2018), pp. 179-184, (in Japanese).
松原裕樹, 菊川豪太, 小原拓, 液体・界面の熱輸送特性発現機構 - 分子設計を志向して, 伝熱, Vol. 56, No. 236, (2017), pp. 17-24, (in Japanese).
小原拓, 菊川豪太, 熱流体工学における分子動力学シミュレーション, アンサンブル, Vol. 17 (2015), pp. 35-43, (in Japanese).
小原拓, 菊川豪太, 液体/固液界面/気液界面の構造と輸送, フルードパワーシステム, Vol.38 (2007), pp. 233-238, (in Japanese).
川越 吉晃, 菊川 豪太, 炭素繊維強化プラスチックにおける分子スケール・ミクロスケールモデリング, “マテリアルズインテグレーションによる構造材料設計ハンドブック”, エヌ・ティー・エス, (2024), pp. 215-221, (in Japanese).
菊川豪太, 松原裕樹, 小原拓, ソフトマターの熱伝導, "マイクロ・ナノ熱工学の進展", エヌ・ティー・エス, (2021), pp. 72-76, (in Japanese).
菊川豪太, 気液界面の熱力学, "マイクロ・ナノ熱工学の進展", エヌ・ティー・エス, (2021), pp. 143-147, (in Japanese).
菊川豪太, 界面熱抵抗の制御と設計, "マイクロ・ナノ熱工学の進展", エヌ・ティー・エス, (2021), pp. 237-240, (in Japanese).
菊川豪太, 高分子材料の熱伝導特性に関する分子スケール設計, "高熱伝導材料の開発～さらなる熱伝導率向上のために～", 技術情報協会, (2019), pp. 235-240, (in Japanese).
小原拓, 中野雄大, 菊川豪太, 脂質二重膜中の熱エネルギー伝搬特性, "高度物理刺激と生体応答", 養賢堂, (2017), pp. 170-173, (in Japanese).
小原拓, 松原裕樹, 菊川豪太, 平成30年度日本伝熱学会学術賞, 分子スケール熱伝搬解析に基づく液体の熱伝導メカニズムと分子構造との関係の解明, (2019), (in Japan).
菊川豪太, 平成30年度科学技術分野の文部科学大臣表彰 若手科学者賞, 有機分子修飾膜の分子構造に基づく界面熱輸送制御の研究, (2018), (in Japan).
菊川豪太, 平成28年度日本伝熱学会貢献賞, (2017), (in Japan).
菊川豪太, Pawel Keblinski, 小原拓, 2013年度（第91期）日本機械学会熱工学部門講演論文表彰, 架橋を有するアモルファスポリマー材料における熱輸送機構の解明, (2014), (in Japan).
中野雄大, 菊川豪太, 小原拓, 平成24年度日本伝熱学会学術賞, 脂質二重膜の構造と熱伝導特性, (2013), (in Japan).
小原拓, タン チアユアン, 鳥居大地, 小杉直央, 菊川豪太, 2011年度日本熱物性学会賞論文賞, 長鎖ポリマー液体の熱伝導率: 分子間及び分子内エネルギー伝搬の寄与についての分子動力学的研究, (2011), (in Japan).
菊川豪太, 平成21年度日本伝熱学会奨励賞, 自己組織化単分子膜における熱輸送特性の分子動力学的研究, (2010), (in Japan).
菊川豪太, 小原拓, 川口暢, 鳥越栄一, 萩原康正, 松本洋一郎, 2008年度（第86期）日本機械学会熱工学部門講演論文表彰, SAM-溶媒界面における界面熱抵抗特性の分子論的研究, (2009), (in Japan).
菊川豪太, 2008年度（第86期）日本機械学会奨励賞（研究）, 水およびLennard-Jones流体の気液界面における局所・瞬時的構造に関する分子動力学解析の研究, (2009), (in Japan).
菊川豪太, 2000年度日本機械学会畠山賞, (2001), (in Japan).