FieldAuthor(s)TitleJournalVolume, Issue, & PageYear & MonthNotes
Review荒井規允分子シミュレーションと機械学習を活用した界面活性剤水溶液の構造・物性予測オレオサイエンス25 (7), 285-2892025/07
SurfaceF. Meng, J. Liu, and N. AraiInvestigating the Nanostructure Design Mechanism Behind the Hydrophobicity of Biomimetic SurfaceACS Appl. Mater. Interfaces.17 (15), 23394-234042025/04
GrapheneT. Sakuma, R. Sato, A.Yamaguchi, H. Imai, N. Arai, and Y. OakiSynthesis of Amorphous Graphene and Graphene Oxide AnalogsJ. Am. Chem. Soc.147 (13), 11564−115732025/04
Molecular Motor, Active MatterK. Ueno, Y. Ishiwatari, K. Sasaki, T. Kojima, A. Takai, K. Asakura, N. Arai, and T. BannoMolecular Insights into the Motion of Oil Droplets in Aqueous Solutions of Ester- and Amide-Containing Cationic SurfactantsJ. Mol. Liq.426, 1273522025/03
Micelle, VesicleS. Sasaki, H. Ueno, N. Arai, K. Asakura, and T. BannoA molecular strategy for creating functional vesicles with balancing structural stability and stimuli-responsivenessNanoscale17 (11), 6863-68732025/02
EmulsionK. Suzuki, Y. Kobayashi, T. Yamazaki, T. Tsuji, and N. AraiEffects of grafting architecture of amphiphilic polymer-grafted nanoparticles on stabilization mechanisms of concentrated emulsionsColloids Interface Sci. Commun.65, 1008222025/02
PolymerA. Yamaguchi, S. Arai, and N. AraiFundamentals of Toughening Core-Shell Bioplastic Materials from a Molecular PerspectiveACS Sustain. Chem. Eng.13 (1), 535-5462025/01
Machine LearningT. Sudo, S. Ishiai, Y. Ishiwatari, T. Yokoyama, K. Yasuoka, and N. AraiMachine learning-enabled exploration of mesoscale architectures in amphiphilic-molecule self-assemblyNext Res.2 (1), 1001502025/01
SurfaceK. Sasaki, Y. Ishiwatari, K. Ueno, T. Kojima, T. Banno, and N. AraiMolecular Modeling of Active Oil Droplet Propulsion: Insights from Dissipative Particle Dynamics SimulationChem. Phys. Lett.857, 1416802024/12
EmulsionT. Yamazaki, K. Suzuki, Y. Kobayashi, N. Arai, and T. TsujiPoly(vinyl alcohol)-modified poly(methyl methacrylate) particles for solid-stabilized oil-in-water emulsions Colloids Surf. A697 (20), 1344332024/09
Liquid CrystalT. Sato, H. Tsujinoue, K. Z. Takahashi, and N. AraiCoarse-grained molecular simulation of the effect of liquid crystal molecular pitch on structure in cylindrical confinementPhys. Rev. E110 (1), 0147012024/07
Liquid CrystalK. Yamada and N. AraiCholesteric liquid crystal phase variations within nanotubes: An in-depth analysis of the influences of twist Radius and molecular pitchLiq. Cryst.51 (7), 1204-12142024/05Journal Cover
SurfaceI. Yasuda, K. Endo, N. Arai, and K. YasuokaIn-layer inhomogeneity of molecular dynamics in quasi-liquid layers of iceCommun. Chem.7, 1172024/05
PolymerA. Yamaguchi, S. Arai and N. AraiDesign strategy for blends of biodegradable polyester and thermoplastic starch based on a molecular dynamics study of the phase-separated interfaceCarbohydr. Polym.333, 1220052024/03
Liquid CrystalD. Morishita, Y. Itoh, K. Furukawa, N. Arai, X.-J. Zhang, T. AidaSupramolecular Copolymerization of Hydrophobic and Hydrophilic Monomers in Liquid Crystalline MediaChem. Sci15 (11), 4068-40742024/02
Surface荒井規允, 戎崎俊一生体から発想を得た分子スケールの水輸送方法の提案TEN5, 65-762024/02
Machine LearningY. Ishiwatari, T. Yokoyama, T. Kojima, T. Banno and N. AraiMachine learning prediction of self-assembly and analysis of molecular structure dependence on critical packing parameterMol. Syst. Des. Eng.9 (1), 20-282024/01selected as HOT MSDE article
EmulsionK. Suzuki, Y. Kobayashi, T. Yamazaki, T. Tsuji, and N. AraiMechanisms underlying the stability and instability of concentrated oil-in-water emulsions: Effect of the chemical structure of amphiphilic polymersJ. Mol. Liq.394, 1237492024/01
Machine LearningJ. Mustali, I. Yasuda, Y. Hirano, K. Yasuoka, A. Gautieri, and N. AraiUnsupervised Deep Learning for Molecular Dynamics Simulations: A Novel Analysis of Protein-Ligand Interactions in SARS-CoV-2 MproRSC. Adv.13 (48), 34249-342612023/11
Machine LearningM. Hamaguchi, H. Miwake, R. Nakatake, and N. AraiPredicting the Performance of Functional Materials Composed of Polymeric Multicomponent Systems Using Artificial Intelligence ~Formulations of Cleansing Foams as an ExamplePolymers15 (21), 42162023/10
PolymerA. Yamaguchi, S. Arai and N. AraiMolecular insight into toughening induced by core-shell structure formation in starch-blended bioplastic compositesCarbohydr. Polym.315, 1209742023/09
SurfaceF. Meng and N. AraiThe relationship between nanostructured bio-inspired materials surfaces and free energy barrier using coarse-grained molecular dynamicsBiomimetics8 (6), 4532023/09
NanoparticleT. Yokoyama, Y. Kobayashi, N. Arai, and A. NikoubashmanAggregation of Amphiphilic Nanocubes in Equilibrium and Under ShearSoft Matter19 (34), 6480-64892023/08
BiomoleculesS. Sakai, Y. Hirano, Y. Kobayashi, and N. AraiEffect of temperature on the structure and drug-release behaviour of inclusion complex of β-cyclodextrin with cyclophosphamide: A molecular dynamics studySoft Matter19 (16), 2902-29072023/04
SurfaceN. Arai, E. Yamamoto, T. Koishi, Y. Hirano, K. Yasuoka and T. EbisuzakiWetting hysteresis induces effective unidirectional water transport through a fluctuating nanochannelNanoscale Horiz.8, 652-6612023/02
Micelle, VesicleT. Yokoyama, H. Miwake, M. Hamaguchi, R. Nakatake, and N. AraiReproduction of super-multicomponent self-assembled structures and their functionality using coarse-grained molecular simulation - the example of cleansing foamsMol. Syst. Des. Eng.8 (4), 538-5502023/01
SurfaceI. Yasuda, Y. Kobayashi, K. Endo, Y. Hayakawa, K. Fujiwara, K. Yajima, N. Arai, and K. YasuokaCombining Molecular Dynamics and Machine Learning to Analyze Shear Thinning for Alkane and Globular Lubricants in Low Shear RegimeACS Appl. Mater. Interfaces15 (6), 8567-85782023/01
SurfaceY. Kobayashi, N. Arai, and K. YasuokaCorrelation between ordering and shear thinning in confined OMCTS liquidsJ. Chem. Phys.157 (11), 1145062022/09
TheoryL. Peng, N. Arai, and K. YasuokaA stochastic Hamiltonian formulation applied to dissipative particle dynamicsAppl. Math. Comput.426, 1271262022/08
NanoparticleT. Sato, K. Esashika, E. Yamamoto, T. Saiki, and N. AraiTheoretical Design of a Janus-Nanoparticle-Based Sandwich Assay for Nucleic AcidsInt. J. Mol. Sci.23 (15), 88072022/08
Review荒井規允実験はもう不要？in silicoな製品開発に向けて〜「分子シミュレーション」×「人工知能」月刊化学77 (6), 68-692022/06
Review荒井規允ソフトマターの粗視化分子シミュレーションJ. Jpn. Soc. Colour Mater.95 (4), 92-972022/04
Surface荒井規允，古石貴裕，戎崎俊一疎水性表面変化を利用した能動水輸送ポンプの散逸粒子動力学(DPD)シミュレーションながれ41 (2), 57-602022/04第35回数値流体力学シンポジウム注目研究(10/244件)
Micelle, VesicleS. Tanaka, N. Arai, and Y. KobayashiSimulation study on the effects of the self-assembly of nanoparticles on thermal conductivity of nanofluidsChem. Phys. Lett.785, 1391292021/10
Review荒井規允研究室だより「慶應義塾大学理工学部機械工学科 荒井研究室」アンサンブル23 (4), 290-2932021/10
Review荒井規允第27期総会・講演会および優秀公演報告メカトップ関東124 (50), 22021/07
NanoparticleT. Sato, Y. Kobayashi, and N. AraiEffect of chemical design of grafted polymers on the self-assembled morphology of polymer-tethered nanoparticles in nanotubesJ. Phys. Condens. Matter33 (36), 3654042021/07
Micelle, VesicleY. Kobayashi, H. Gomyo, and N. AraiMolecular Insight into the Possible Mechanism of Drag Reduction of Surfactant Aqueous Solution in Pipe FlowInt. J. Mol. Sci.22 (14), 75732021/07
NanoparticleT. Sato, Y. Kobayashi, T. Michioka, and N. AraiSelf-assembly of polymer-tethered nanoparticles with uniform and Janus surfaces in nanotubesSoft Matter17 (15), 4047-40582021/03
SurfaceN. Arai, T. Koishi, and T. EbisuzakiNanotube Active Water Pump Driven by Alternating HydrophobicityACS Nano15 (2), 2481-24892021/02
NanoparticleY. Kobayashi, N. Arai, and A. NikoubashmanStructure and Shear Response of Janus Colloid-Polymer Mixtures in SolutionLangmuir36 (47), 14214-142232020/11
SurfaceH. Tsujinoue, Y. Kobayashi and N. AraiEffect of the Janus Amphiphilic Wall on the Viscosity Behavior of Aqueous Surfactant SolutionsLangmuir36 (36), 10690-106982020/08
Liquid CrystalH. Tsujinoue, T. Nozawa and N. AraiCylindrical defect structures formed by chiral nematic liquid crystal in quasi-one-dimensional nanotubesPhys. Chem. Chem. Phys.22 (29), 16896-169042020/06
Machine LearningT. Inokuchi, R. Okamoto, and N. AraiPredicting molecular ordering in a binary liquid crystal using machine learningLiq. Cryst.47 (3), 438-4482020/03
SurfaceN. Arai, Y. Kobayashi, and K. YasuokaBiointerface effect on the self-assembly of ribonucleic acids: A possible mechanism of RNA polymerization in the self-replication cycleNanoscale12 (12), 6691-66982020/03
Review小林祐生，荒井規允界面活性剤水溶液およびコロイド懸濁液における自己集合と流動ダイナミクス混相流34 (1), 11-182020/03
PolymerR. Miwatani, K. Z. Takahashi, and N. AraiPerformance of coarse graining in estimating polymer properties: comparison with the atomistic modelPolymers12 (2), 3822020/02
NanoparticleY. Kobayashi, N. Arai, and A. NikoubashmanStructure and dynamics of amphiphilic Janus spheres and spherocylinders under shearSoft Matter16 (2), 476-486 2020/01
NanoparticleY. Araki, Y. Kobayashi, and N. AraiProgrammed self-assembly of tetrapod nanoparticles with an amphiphilic surface pattern: the effect of arm length and hydrophobic ratioMol. Sys. Des. Eng.4 (6), 1095-11022019/12Featured on the Journal Cover
Micelle, VesicleY. Kobayashi, K. Nomura, T. Kaneko, and N. AraiReplica exchange dissipative particle dynamics method on threadlike micellar aqueous solutionsJ. Phys. Condens. Matter32 (11), 1159012019/12
PolymerY. Araki and N. AraiDissociation effect of non–covalent bond for morphological behavior of triblock copolymers: A dissipative particle dynamics studyChem. Eng. Commun.208(1), 1-132019/10
Review荒井規允散逸粒子動力学（DPD）法を用いたソフトマターの分子シミュレーション可視化情報学会誌39 (154), 107-1132019/07
NanoparticleY. Kobayashi and N. Arai Predominant factor determining thermal conductivity behavior of nanofluid: Effect of cluster structures with various nanoparticlesJ. Electrochem. Soc.166 (9) B3223-B32272019/05
Review荒井規允，泰岡顕治理論系から見た分子集合体の機能設計ー凝集分子系の物性ダイナミクス第二次先端ウオッチング調査：融合領域の創成　複雑系のための分子科学ー集まって立ち現れる分子機能の理解と設計35-382019/03公益社団法人日本化学会，学術研究活性化委員会
NanoparticleY. Kobayashi, T. Inokuchi, A. Nishimoto, and N. AraiSelf-assembly of spheroidal triblock Janus nanoparticle solutions in nanotubeMol. Syst. Des. Eng.4 (1), 122-1322019/02
Liquid CrystalH. Tsujinoue, T. Inokuchi, and N. AraiPolymorphic transitions mediated surfactants in liquid crystal nanodropletLiq. Cryst.46 (9), 1428-14392019/02Featured on the Journal Cover
Micelle, VesicleY. Kobayashi and N. AraiPolymodal rheological behaviors induced by self-assembly of surfactants confined in nanotubesJ. Mol. Liq.374, 328-3372019/01
MembraneY. Araki, Y. Kobayashi, T. Kawaguchi, T. Kaneko, and N. AraiWater permeation in polymeric membranes: Mechanism and synthetic strategy for water-inhibiting functional polymersJ. Membrane Sci.564, 184-1922018/10Press Release from Kindai Univ.
MembraneT. Inokuchi and N. AraiRelationship between water permeation and flip-flop motion in a bilayer membranePhys. Chem. Chem. Phys.20 (44), 28155-281612018/10
Machine LearningT. Inokuchi, N. Li, K. Morohoshi, and N. AraiMultiscale prediction of functional self-assembled materials using machine learning: High-performance surfactant moleculesNanoscale10 (34), 16013-160212018/09Press Release from Kindai Univ.
Micelle, VesicleT. Seki, N. Arai, D. Suh, T. Ozawa, T. Shimada, K. Yasuoka, and A, HottaSelf-assembly of peptide amphiphiles by vapor pressure osmometry and dissipative particle dynamicsRSC Adv.8 (47), 26461-264682018/07
PolymerY. Kobayashi and N. AraiJanus or homogeneous nanoparticles mediated self-assembly of polymer electrolyte fuel cell membranesRSC Adv.8 (33), 18568-185752018/05
Review樋口祐次，荒井規允若手研究者より研究会に期待することアンサンブル20 (2), 102-1042018/04
Review荒井規允，泰岡顕治分子シミュレーション研究会の各種データアンサンブル20 (2), 105-1072018/04
NanoparticleM. A. Bin Sazali, Y. Kobayashi, Y. Taniguchi, T. Nakashima, and N. AraiSelf-assembled morphology of tripod nanoparticle solutions ∼The effect of arm length and hydrophobic ratio∼Mol. Syst. Des. Eng.3 (3), 572-5802018/02
PolymerK. Wakimoto, H. Sasaki, and N. AraiDissipative particle dynamics simulation of the relaxation behaviour of a triblock copolymer supramolecular networkMol. Simul.44 (7), 534-5392018/01
Molecular Motor, Active MatterM. Hojo, N. Arai, and T. EbisuzakiUnderstanding a molecular motor walking along a microtubule: An asymmetric Brownian motor driven by bubble formation with a focus on binding affinityMol. Simul.44 (7), 523-5292018/01
SurfaceN. Arai, T. Koishi, and T. EbisuzakiTheory of nanobubble formation and induced force in nanochannelsPhys. Rev. E96 (4), 0428022017/10
NanoparticleY. Taniguchi, M. A. Bin Sazali, Y. Kobayashi, N. Arai, T. Kawai, and T. NakashimaProgrammed self-assembly of branched nanocrystals with an amphiphilic surface patternACS Nano11 (9), 9312–93202017/09
NanoparticleY. Taniguchi, T. Takishita, Y. Kobayashi, N. Arai, T. Kawai and T. NakashimaAmphiphilic self-assembly of semiconductor nanocrystals with heterogeneous compositionsEPL118 (6), 680012017/08
Liquid CrystalT. Inokuchi and N. AraiLiquid-crystal ordering mediated by self-assembly of surfactant solution confined in nanodroplet: A dissipative particle dynamics studyMol. Simul.43 (13-16), 1218-12262017/08
Review金子敏宏，荒井規允，泰岡顕治ナノ多孔質体に閉じ込められた物質の固液相転移現象と自己組織化現象伝熱56 (236), 45-502017/07
Review荒井規允研究室だより「近畿大学理工学部機械工学科 荒井研究室」アンサンブル19 (2), 137-1402017/04
Micelle, VesicleY. Kobayashi and N. AraiSelf-assembly of surfactant aqueous solution confined in a Janus amphiphilic nanotubeMol. Simul.43(13-16), 1153-11592017/04
PolymerN. Kadoya and N. AraiSize dependence of static polymer droplet behavior from many-body dissipative particle dynamics simulationPhys. Rev. E95 (4), 0431092017/04
ReviewB. Jaeil, 荒井規允カーボンナノチューブ内において形成される八角形チューブおよび鎖状構造とそれらが示す特異な挙動アンサンブル19 (1), 14-162017/01
NanoparticleY. Kobayashi and N. AraiSelf-assembly and viscosity behavior of Janus nanoparticles in nanotube flowLangmuir33 (3), 736-7432017/01
Micelle, VesicleN. Arai, K. Yasuoka, and X. C. ZengSelf-assembly of Janus oligomers into onion-like vesicles with layer-by-layer water discharging capability: A minimalist modelACS Nano10 (8), 8026-80372016/08News release on Nebraska Today (Univ. Nebraska-Lincoln)
Micelle, VesicleN. Arai, Y. Yoshimoto, K. Yasuoka, and T. EbisuzakiSelf-assembly behaviours of primitive and modern lipid membrane solutions: a coarse-grained molecular simulation studyPhys. Chem. Chem. Phys.18 (28), 19426-194322016/07
NanoparticleY. Kobayashi and N. AraiSelf-assembly of Janus nanoparticle with a hydrophobic hemisphere in nanotubeSoft Matter12 (2), 378-3852016/01
NanoparticleY. Tamura and N. AraiMolecular dynamics simulation of the melting processes of core–shell and pure nanoparticlesMol. Simul.41 (10-12), 905-9122015/10
PolymerN. AraiStructural analysis of telechelic polymer solution using dissipative particle dynamics simulationsMol. Simul.41 (10-12), 996-10012015/10
Review荒井規允分子シミュレーションによるソフトマター領域のスマートプロセス技術開発を目指してスマートプロセス学会誌4 (1), 40-452015/01
MembraneN. Arai, T. Akimoto, E. Yamamoto, M. Yasui, and K. YasuokaPoisson property of the occurrence of flip-flops in a model membraneJ. Chem. Phys.140 (6), 0649012014/02Featured on the Journal Cover
Micelle, VesicleN. Arai, K. Yasuoka, and X. C. ZengA vesicle cell under collision with a Janus or homogeneous nanoparticle: translocation dynamics and late-stage morphologyNanoscale5 (19), 9089-91002013/08
Micelle, VesicleN. Arai, K. Yasuoka, and X. C. ZengPhase diagrams of confined solutions of dimyristoylphosphatidylcholine (DMPC) lipid and cholesterol in nanotubesMicrofluid. Nanofluid.14 (6), 995-10102013/06
Molecular Motor, Active MatterN. Arai, K. Yasuoka, T. Koishi, T. Ebisuzaki, and X. C. ZengUnderstanding molecular motor walking along microtubule: A themo-sensitive asymmetric Brownian motor driven by bubble formationJ. Am. Chem. Soc.135 (23), 8616-86242013/06
NanoparticleN. Arai, K. Yasuoka, and X. C. ZengSelf-assembly of triblock Janus nanoparticle in nanotubeJ. Chem. Theory Comput.9 (1), 179-1872013/01
GrapheneS. Seto, N. Arai, and K. ShintaniAtomistic study of the morphology of graphene on Si and SiC substratesMRS Symp. Proc.1407, aa15, 472012/01
Micelle, VesicleN. Arai, K. Yasuoka, and X. C. ZengNanochannel with uniform and Janus surfaces: Shear thinning and thickening in surfactant solutionLangmuir28 (5), 2866-28722012/01
Review荒井規允散逸粒子動力学法を用いた界面活性剤水溶液の自己組織化の解明および高効率ナノモーターシステムの設計・開発アンサンブル13 (2), 81-872011/04
Molecular Motor, Active MatterN. Arai, K. Yasuoka, T. Koishi, and T. EbisuzakiAsymmetric Brownian motor driven by bubble formation in a hydrophobic channelACS Nano4 (10), 5905-59132010/10
Review泰岡顕治，古石貴裕，美馬俊喜，荒井規允固液界面現象の分子シミュレーショントライボロジスト55 (4), 236-2412010/04
GrapheneK. Sato, N. Arai, and K. ShintaniMolecular dynamics of carbon nanobearingsMRS Symp. Proc.1204, K05, 792010/01
Micelle, VesicleT. Seki, N. Arai, T. Ozawa, T. Shimada, K. Yasuoka, and A. Hotta Dissipative particle dynamics studies on the self-assembling dynamics of the peptide amphiphilesMRS Symp. Proc.1135, CC06, 22009/01
Micelle, VesicleN. Arai, K. Yasuoka, and X. C. ZengSelf-assembly of surfactants and polymorphic transition in nanotubesJ. Am. Chem. Soc.130 (25), 7916-79202008/05JACS Select 2008
Micelle, VesicleN. Arai, K. Yasuoka, and Y. MasubuchiSpontaneous self-assembly process for threadlike micellesJ. Chem. Phys.126 (24), 2449052007/06