Theory of Active Sites of Organic Semiconductors

• Project Area: 3D Active-Site Science
• Project/Area Number: 26105011
• Research Category: Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
• Allocation Type: Single-year Grants
• Review Section: Science and Engineering
• Research Institution: University of Tsukuba
• Principal Investigator: KOBAYASHI Nobuhiko 筑波大学, 数理物質系, 准教授 (10311341)
• Co-Investigator(Kenkyū-buntansha): 柳澤 将 琉球大学, 理学部, 准教授 (10403007) ; 田村 宏之 東京大学, 先端科学技術研究センター, 特任准教授 (60390655)
• Research Collaborator: HAMADA Ikutaro
• Project Period (FY): 2014-07-10 – 2019-03-31
• Project Status: Completed (Fiscal Year 2018)
• Budget Amount: ¥41,730,000 (Direct Cost: ¥32,100,000、Indirect Cost: ¥9,630,000); Fiscal Year 2018: ¥8,970,000 (Direct Cost: ¥6,900,000、Indirect Cost: ¥2,070,000); Fiscal Year 2017: ¥8,970,000 (Direct Cost: ¥6,900,000、Indirect Cost: ¥2,070,000); Fiscal Year 2016: ¥8,970,000 (Direct Cost: ¥6,900,000、Indirect Cost: ¥2,070,000); Fiscal Year 2015: ¥8,970,000 (Direct Cost: ¥6,900,000、Indirect Cost: ¥2,070,000); Fiscal Year 2014: ¥5,850,000 (Direct Cost: ¥4,500,000、Indirect Cost: ¥1,350,000)
• Keywords: 有機半導体 / 活性サイト / 理論 / 物性理論

Outline of Final Research Achievements

We studied the following three issues:【Theme1】Theory of electronic/atomic structures and active sites of organic semiconductor by first-principles calculations.【Theme2】Theory of carrier transport and active sites of organic semiconductors.【Theme3】Theory of interactions with photon/phonon fields and active sites of organic semiconductors. We performed detailed structural analysis of organic semiconductors cooperating within the area. We analyzed transport properties and interaction with phonons and photons, and developed a theory for high performance new materials for organic semiconductors.

Academic Significance and Societal Importance of the Research Achievements

フレキシブルで軽量な有機半導体は、近年、様々な新規分子合成による伝導機能の性能向上が著しく、塗布型プロセス製造法の発展による低コスト化も相まって、次世代電子デバイス材料として強く期待されている。この有機半導体のキャリア伝導特性の制御には、原子レベルでの詳細な原子構造解析を行い、様々な散乱機構を取り入れた量子伝導理論を用いたキャリア伝導解析による理論的体系を構築することが求められていた。ここで作成実証された理論は今後の有機半導体材料開発に貢献でき、学術的意義および社会的意義は大きい。

Research Products

• [Int'l Joint Research] University de Mons(Belgium)
• [Int'l Joint Research] Columbia University/Temple University(米国)
• [Int'l Joint Research] Goethe University(Germany)
• [Int'l Joint Research] Universite de Strasbourg(France)
• [Journal Article] Platinum single-atom adsorption on graphene: a density functional theory study (2019)
  • Author(s): Wella Sasfan Arman、Hamamoto Yuji、Suprijadi Suprijadi、Morikawa Yoshitada、Hamada Ikutaro
  • Journal Title: Nanoscale Advances Volume: 1 Issue: 3 Pages: 1165-1174
  • DOI: 10.1039/c8na00236c
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Theory of electron transport at the atomistic level (2018)
  • Author(s): Kobayashi Nobuhiko、Ishii Hiroyuki、Hirose Kenji
  • Journal Title: Japanese Journal of Applied Physics Volume: 57 Issue: 8S1 Pages: 08NA01-08NA01
  • DOI: 10.7567/jjap.57.08na01
  • NAID: 210000149434
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Computational Study on Atomic Structures, Electronic Properties, and Chemical Reactions at Surfaces and Interfaces and in Biomaterials (2018)
  • Author(s): Takano Yu、Kobayashi Nobuhiko、Morikawa Yoshitada
  • Journal Title: Journal of the Physical Society of Japan Volume: 87 Issue: 6 Pages: 061013-061013
  • DOI: 10.7566/jpsj.87.061013
  • NAID: 210000134839
  • Peer Reviewed / Open Access
• [Journal Article] Surface Structure of Organic Semiconductor [n]Phenacene Single Crystals (2018)
  • Author(s): Wakabayashi Yusuke、Nakamura Masanari、Sasaki Kaori、Maeda Takahiro、Kishi Yuutaro、Ishii Hiroyuki、Kobayashi Nobuhiko、Yanagisawa Susumu、Shimo Yuma、Kubozono Yoshihiro
  • Journal Title: Journal of the American Chemical Society Volume: 140 Issue: 43 Pages: 14046-14049
  • DOI: 10.1021/jacs.8b08811
  • Peer Reviewed / Open Access
• [Journal Article] Quantitative mobility evaluation of organic semiconductors using quantum dynamics based on density functional theory (2018)
  • Author(s): Ishii Hiroyuki、Inoue Jun-ichi、Kobayashi Nobuhiko、Hirose Kenji
  • Journal Title: Physical Review B Volume: 98 Issue: 23 Pages: 235422-235422
  • DOI: 10.1103/physrevb.98.235422
  • Peer Reviewed / Open Access
• [Journal Article] A New Pentacene Polymorph Induced by Interaction with a Substrate (2018)
  • Author(s): T.Shirasawa, S.Yanagisawa, S.Hatada, W.Voegeli, Y.Morikawa, and T.Takahashi
  • Journal Title: J.Phys.Chem.C Volume: 122 Issue: 11 Pages: 6240-6245
  • DOI: 10.1021/acs.jpcc.8b00892
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Impact of the molecular quadrupole moment on ionization energy and electron affinity of organic thin films: Experimental determination of electrostatic potential and electronic polarization energies (2018)
  • Author(s): Yamada Kazuto、Yanagisawa Susumu、Koganezawa Tomoyuki、Mase Kazuhiko、Sato Naoki、Yoshida Hiroyuki
  • Journal Title: Physical Review B Volume: 97 Issue: 24 Pages: 245206-245206
  • DOI: 10.1103/physrevb.97.245206
  • Peer Reviewed / Open Access
• [Journal Article] Validity of density-functional-theory-based molecular modeling for UV/visible spectroscopy and rationale of panchromatic PbI6 4?(MeNH3 +)4-structured molecular solar cells (2018)
  • Author(s): Yanagida Shozo、Yanagisawa Susumu、Yanagida Masatoshi、Segawa Hiroshi
  • Journal Title: Japanese Journal of Applied Physics Volume: 57 Issue: 12 Pages: 121602-121602
  • DOI: 10.7567/jjap.57.121602
  • Peer Reviewed / Open Access
• [Journal Article] Hydrogen Bond-Induced Nitric Oxide Dissociation on Cu(110) (2018)
  • Author(s): Pham Thanh Ngoc、Sugiyama Masahiro、Muttaqien Fahdzi、Putra Septia Eka Marsha、Inagaki Kouji、Son Do Ngoc、Hamamoto Yuji、Hamada Ikutaro、Morikawa Yoshitada
  • Journal Title: The Journal of Physical Chemistry C Volume: 122 Issue: 22 Pages: 11814-11824
  • DOI: 10.1021/acs.jpcc.8b01208
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Ultrafast carbon monoxide photolysis and heme spin-crossover in myoglobin via nonadiabatic quantum dynamics (2018)
  • Author(s): Falahati Konstantin、Tamura Hiroyuki、Burghardt Irene、Huix-Rotllant Miquel
  • Journal Title: Nature Communications Volume: 9 Issue: 1 Pages: 4502-4502
  • DOI: 10.1038/s41467-018-06615-1
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Robust singlet fission in pentacene thin films with tuned charge transfer interactions (2018)
  • Author(s): K. Broch, J. Dieterle, F. Branchi, N.J. Hestand, Y. Olivier, H. Tamura, C. Cruz, V.M. Nichols, A. Hinderhofer, D. Beljonne, F.C. Spano, G. Cerullo, C.J. Bardeen, and F. Schreiber
  • Journal Title: Nature Communications Volume: 9 Issue: 1 Pages: 954-954
  • DOI: 10.1038/s41467-018-03300-1
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] First-Principles Molecular Dynamics Analysis of Ligand-Free Suzuki Miyaura Cross-Coupling in Water: Transmetalation and Reductive Elimination (2017)
  • Author(s): Hirakawa Teruo、Uramoto Yuta、Yanagisawa Susumu、Ikeda Takashi、Inagaki Kouji、Morikawa Yoshitada
  • Journal Title: The Journal of Physical Chemistry C Volume: 121 Issue: 36 Pages: 19904-19914
  • DOI: 10.1021/acs.jpcc.7b06972
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Augmented pH-sensitivity absorbance of a ruthenium(ii) bis(bipyridine) complex with elongation of the conjugated ligands: an experimental and theoretical investigation (2017)
  • Author(s): San Tan Siew、Yanagisawa Susumu、Inagaki Kouji、Morikawa Yoshitada、Kassim Mohammad B.
  • Journal Title: Physical Chemistry Chemical Physics Volume: 19 Issue: 37 Pages: 25734-25745
  • DOI: 10.1039/c7cp04268j
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Theoretical determination of the ionization potential and the electron affinity of organic semiconductors (2017)
  • Author(s): Yanagisawa Susumu
  • Journal Title: AIP Conference Proceedings Volume: 1906 Pages: 030014-030014
  • DOI: 10.1063/1.5012293
  • Peer Reviewed / Open Access
• [Journal Article] Enhancement of Thermoelectric Properties in Surface Nanostructures (2017)
  • Author(s): Takaki Hirokazu、Kobayashi Kazuaki、Shimono Masato、Kobayashi Nobuhiko、Hirose Kenji
  • Journal Title: Journal of Electronic Materials Volume: 46 Issue: 10 Pages: 5593-5598
  • DOI: 10.1007/s11664-017-5635-1
  • Peer Reviewed / Open Access
• [Journal Article] π-electron S =1/2 quantum spin-liquid state in an ionic polyaromatic hydrocarbon (2017)
  • Author(s): Takabayashi Y, Menelaou M, Tamura H, Takemori N, Koretsune T, Stefancic A, Klupp G, Buurma AJC, Nomura Y, Arita R,, Arcon D, Rosseinsky MJ, Prassides K
  • Journal Title: Nature Chemistry Volume: 9 Issue: 7 Pages: 635-643
  • DOI: 10.1038/nchem.2764
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] The entangled triplet pair state in acene and heteroacene materials (2017)
  • Author(s): Yong Chaw Keong、Musser Andrew J.、Bayliss Sam L.、Lukman Steven、Tamura Hiroyuki、Bubnova Olga、Hallani Rawad K.、Meneau Aur?lie、Resel Roland、Maruyama Munetaka、Hotta Shu、Herz Laura M.、Beljonne David、Anthony John E.、Clark Jenny、Sirringhaus Henning
  • Journal Title: Nature Communications Volume: 8 Issue: 1 Pages: 15953-15953
  • DOI: 10.1038/ncomms15953
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Image potential states from the van der Waals density functional (2017)
  • Author(s): Hamada Ikutaro、Hamamoto Yuji、Morikawa Yoshitada
  • Journal Title: The Journal of Chemical Physics Volume: 147 Issue: 4 Pages: 044708-044708
  • DOI: 10.1063/1.4995441
  • Peer Reviewed / Open Access
• [Journal Article] Hybrid image potential states in molecular overlayers on graphene (2017)
  • Author(s): Wella Sasfan Arman、Sawada Hiroyuki、Kawaguchi Nana、Muttaqien Fahdzi、Inagaki Kouji、Hamada Ikutaro、Morikawa Yoshitada、Hamamoto Yuji
  • Journal Title: Physical Review Materials Volume: 1 Issue: 6 Pages: 06001-06001
  • DOI: 10.1103/physrevmaterials.1.061001
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Desorption dynamics of CO2 from formate decomposition on Cu(111) (2017)
  • Author(s): Muttaqien Fahdzi、Oshima Hiroyuki、Hamamoto Yuji、Inagaki Kouji、Hamada Ikutaro、Morikawa Yoshitada
  • Journal Title: Chemical Communications Volume: 53 Issue: 66 Pages: 9222-9225
  • DOI: 10.1039/c7cc03707d
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] CO2 adsorption on the copper surfaces: van der Waals density functional and TPD studies (2017)
  • Author(s): Muttaqien Fahdzi、Hamamoto Yuji、Hamada Ikutaro、Inagaki Kouji、Shiozawa Yuichiro、Mukai Kozo、Koitaya Takanori、Yoshimoto Shinya、Yoshinobu Jun、Morikawa Yoshitada
  • Journal Title: The Journal of Chemical Physics Volume: 147 Issue: 9 Pages: 094702-094702
  • DOI: 10.1063/1.4994149
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Charge transport calculations by a wave-packet dynamical approach using maximally localized Wannier functions based on density functional theory:Application to high-mobility organic semiconductors (2017)
  • Author(s): H. Ishii, N. Kobayashi, K. Hirose
  • Journal Title: Phys. Rev. B Volume: 95 Issue: 3 Pages: 035433-035433
  • DOI: 10.1103/physrevb.95.035433
  • Peer Reviewed / Open Access / Acknowledgement Compliant
• [Journal Article] First-principles calculations of Seebeck coefficients in a magnetic semiconductor CuFeS2 (2017)
  • Author(s): H. Takaki, K. Kobayashi, M. Shimono, N. Kobayashi, K. Hirose, N. Tsujii, T. Mori
  • Journal Title: Appl. Phys. Lett. Volume: 110 Issue: 7 Pages: 072107-072107
  • DOI: 10.1063/1.4976574
  • NAID: 120007134947
  • Peer Reviewed / Open Access
• [Journal Article] Determination of geometric and electronic structures of organic crystals from first principles: Role of the molecular configuration on the electronic structure, (2017)
  • Author(s): S. Yanagisawa nd I. Hamada,
  • Journal Title: J. Appl. Phys. Volume: 121 Issue: 4
  • DOI: 10.1063/1.4974844
  • Peer Reviewed / Open Access / Acknowledgement Compliant
• [Journal Article] First-Principles Molecular Dynamics Analysis of Ligand-Free Suzuki-Miyaura Cross Coupling in Water Solvent: Oxidative Addition Step (2017)
  • Author(s): T. Hirakawa, Y. Uramoto, D. Mimura, A. Takeda, S. Yanagisawa, T. Ikeda, K. Inagaki, and Y. Morikawa
  • Journal Title: J. Phys. Chem. B, Volume: 121 Issue: 1 Pages: 164-173
  • DOI: 10.1021/acs.jpcb.6b08644
  • Peer Reviewed / Open Access / Int'l Joint Research / Acknowledgement Compliant
• [Journal Article] Comparative Study of Single and Dual Gain-Narrowed Emission in 2 Thiophene/Furan/Phenylene Co-Oligomer Single Crystals (2017)
  • Author(s): H. Shang, H. Shimotani, S. Ikeda, T. Kanagasekaran, K. Oniwa, T. Jin, N. Asao, Y. Yamamoto, *H. Tamura, K. Abe, M. Kanno, M. Yoshizawa, and K. Tanigaki
  • Journal Title: J Phys. Chem. C, Volume: 121 Issue: 4 Pages: 2364-2368
  • DOI: 10.1021/acs.jpcc.6b10827
  • Peer Reviewed / Open Access / Int'l Joint Research / Acknowledgement Compliant
• [Journal Article] Dynamics of the triplet pair state reveals the likely co-existence of coherent and incoherent singlet fission in crystalline hexacene (2016)
  • Author(s): N. R. Monahan, D. Su, *H. Tamura, K. W. Williams, B. Xu, Y. Zhong, B. Kumar, C. Nuckolls, A. R. Harutyunyan, G. Chen, H.-L. Dai, D. Beljonne, Y. Rao, X.-Y. Zhu,
  • Journal Title: Nature Chemistry, in press. Volume: 9 Issue: 4 Pages: 341-346
  • DOI: 10.1038/nchem.2665
  • Peer Reviewed / Open Access / Int'l Joint Research / Acknowledgement Compliant
• [Journal Article] Suppressing molecular vibrations in organic semiconductors by inducing strain (2016)
  • Author(s): T. Kubo, R. Haeusermann, J. Tsurumi, J. Soeda, Y. Okada, Y. Yamashita, N. Akamatsu, A. Shishido, C. Mitsui, T. Okamoto, S. Yanagisawa, H. Matsui, and J. Takeya
  • Journal Title: Nature Communications Volume: 7 Issue: 1 Pages: 11156-11156
  • DOI: 10.1038/ncomms11156
  • Peer Reviewed / Open Access / Int'l Joint Research / Acknowledgement Compliant
• [Journal Article] Control of optical and electrical properties of nanosheets by chemical structure of turning point in foldable polymer (2016)
  • Author(s): T. Ikeda, H. Tamura, T. Sakurai, and S. Seki
  • Journal Title: Nanoscale Volume: 8 Issue: 30 Pages: 14673-14681
  • DOI: 10.1039/c6nr01066k
  • Peer Reviewed / Open Access
• [Journal Article] Two different ground states in K-intercalated polyacenes (2016)
  • Author(s): Quynh T. N. Phan, Satoshi Heguri, Hiroyuki Tamura, Takehito Nakano, Yasuo Nozue, and Katsumi Tanigaki
  • Journal Title: Physical Review B Volume: 93 Issue: 7 Pages: 075130-075130
  • DOI: 10.1103/physrevb.93.075130
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Diabatization for time-dependent density functional theory: Exciton transfers and related conical intersections (2016)
  • Author(s): *H. Tamura
  • Journal Title: J Phys. Chem. A, Volume: 120 Issue: 46 Pages: 9341-9347
  • DOI: 10.1021/acs.jpca.6b09854
  • Peer Reviewed / Open Access / Acknowledgement Compliant
• [Journal Article] Molecular packing determines charge separation in a liquid crystalline bisthiophene－perylene diimide donor－acceptor material (2016)
  • Author(s): M. Polkehn, H. Tamura, P. Eisenbrandt, S. Haacke, S. Meery, and I. Burghardt
  • Journal Title: J. Phys. Chem. Lett Volume: 7 Issue: 7 Pages: 1327-1334
  • DOI: 10.1021/acs.jpclett.6b00277
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] First-principles calculations of thermoelectric properties of TiN/MgO superlattices: The route for an enhancement of thermoelectric effects in artificial nanostructures (2016)
  • Author(s): H. Takaki, K. Kobayashi, M. Shimono, N. Kobayashi, K. Hirose
  • Journal Title: J. Appl. Phys. Volume: 119 Issue: 1 Pages: 014302-014302
  • DOI: 10.1063/1.4938730
  • Peer Reviewed / Open Access / Acknowledgement Compliant
• [Journal Article] Emergence of charge coherence in soft molecular organic semiconductors by suppressing thermal fluctuations (2016)
  • Author(s): K. Sakai, Y. Okada, T. Uemura, J. Tsurumi, R. Hausermann, H. Matsui, T. Fukami, H. Ishii, N. Kobayashi, K. Hirose and J. Takeya
  • Journal Title: NPG Asia Materials Volume: 8 Issue: 3 Pages: 252-252
  • DOI: 10.1038/am.2016.30
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Theoretical study on electronic structure of bathocuproine: Renormalization of the band gap in the crystalline state and the large exciton binding energy (2016)
  • Author(s): S. Yanagisawa, S. Hatada and Y. Morikawa
  • Journal Title: Journal of the Chinese Chemical Society Volume: 63 Issue: 6 Pages: 1-8
  • DOI: 10.1002/jccs.201500379
  • Peer Reviewed / Open Access / Acknowledgement Compliant
• [Journal Article] Charge transfer states appear in the pi-conjugated pure hydrocarbon molecule on Cu(111) (2016)
  • Author(s): K. Yonezawa, Y. Suda, S. Yanagisawa, T. Hosokai, K. Kato, T. Yamaguchi, H. Yoshida, N. Ueno, and S. Kera
  • Journal Title: Applied Physics Express Volume: 9 Issue: 4 Pages: 045201-045201
  • DOI: 10.7567/apex.9.045201
  • Peer Reviewed
• [Journal Article] Correlation between thermal fluctuation effects and phase coherence factor in carrier transport of single-crystal organic semiconductor143302s (2015)
  • Author(s): T.Fukami, H.Ishii, N.Kobayashi, T.Uemura, K.Sakai, Y. Okada, J.Takeya, and K.Hirose
  • Journal Title: Appl. Phys. Lett. Volume: 106 Issue: 14
  • DOI: 10.1063/1.4916734
  • Peer Reviewed / Open Access / Acknowledgement Compliant
• [Journal Article] Wave Packet Dynamical Calculations for Charge Transport of Organic Semiconductors: Role of Molecular Vibrations and Trap Potentials (2015)
  • Author(s): H. Ishii, N. Kobayashi, K. Hirose
  • Journal Title: Mol. Cryst. Liq. Cryst. Volume: 620 Issue: 1 Pages: 2-9
  • DOI: 10.1080/15421406.2015.1094608
  • Peer Reviewed
• [Journal Article] Molecular Orbital-based Verification of Conductivity of Tetramethylammonium Pentaiodide and Pentaiodide-based Electrolytes in Dye-sensitized Solar Cells (2015)
  • Author(s): S. Yanagida, S. Yanagisawa, and H. Segawa
  • Journal Title: J. Electrochem. Soc. Volume: 162 Issue: 10 Pages: E263-E270
  • DOI: 10.1149/2.0701510jes
  • Peer Reviewed / Open Access
• [Journal Article] Recent progress in predicting structual and electronic properties of organic solids with the van der Waals density functional (2015)
  • Author(s): S. Yanagisawa, K. Okuma, T. Inaoka and I. Hamada
  • Journal Title: Journal of Electron Spectroscopy and Related Phenomena Volume: 204 Pages: 159-167
  • DOI: 10.1016/j.elspec.2015.04.007
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] First-principles quantum dynamics of singlet fission: coherent versus thermally activated mechanisms governed by molecular pi stacking (2015)
  • Author(s): H. Tamura, M. Huix-Rotllant, I. Burghardt, Y. Olivier, D. Beljonne
  • Journal Title: Phys. Rev. Lett. Volume: 115 Issue: 10
  • DOI: 10.1103/physrevlett.115.107401
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] Concurrent effects of delocalization and internal conversion tune charge separation at regioregular polythiophene-fullerene heterojunctions (2015)
  • Author(s): M. Huix-Rotllant, H. Tamura, I. Burghardt
  • Journal Title: J. Phys. Chem. Lett Volume: 6 Issue: 9 Pages: 1702-1708
  • DOI: 10.1021/acs.jpclett.5b00336
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Large-scale conductivity-tensor calculations for Hall effects in time-dependent wave-packet diffusion method (2014)
  • Author(s): H. Ishii, H. Tamura, M. Tsukada, N. Kobayashi1, and K. Hirose
  • Journal Title: Phys. Rev. B Volume: 90 Issue: 15
  • DOI: 10.1103/physrevb.90.155458
  • Peer Reviewed / Open Access
• [Journal Article] Efficient Ab-Initio Electron Transport Calculations for Heterostructures by the Nonequilibrium Green’s Function Method (2014)
  • Author(s): H.Takaki, N.Kobayashi, K.Hirose
  • Journal Title: J. Nanomaterials Volume: 2014 Issue: 1 Pages: 172169-172169
  • DOI: 10.1155/2014/172169
  • Peer Reviewed / Open Access / Acknowledgement Compliant
• [Journal Article] Atomistic Calculations of Heat Transport in a Silicon Crystal (2014)
  • Author(s): N.Kobayashi, K.Yamamoto, H.Ishii, K.Hirose
  • Journal Title: e-Journal of Surface Science and Nanotechnology Volume: 12 Issue: 0 Pages: 154-156
  • DOI: 10.1380/ejssnt.2014.154
  • NAID: 130004438873
  • ISSN: 1348-0391
  • Peer Reviewed / Open Access / Acknowledgement Compliant
• [Journal Article] Scanning tunneling microscopy/spectroscopy of picene thin films formed on Ag(111) (2014)
  • Author(s): Yasuo Yoshida; Hung-Hsiang Yang; Hsu-Sheng Huang; Shu-You Guan; Susumu Yanagisawa; Takuya Yokosuka; Minn-Tsong Lin; Wei-Bin Su; Chia-Seng Chang; Germar Hoffmann; Yukio Hasegawa
  • Journal Title: The Journal of Chemical Physics Volume: 141 Issue: 11 Pages: 1147011-8
  • DOI: 10.1063/1.4894439
  • Peer Reviewed / Open Access / Acknowledgement Compliant
• [Journal Article] Origin of the band dispersion in a metal phthalocyanine crystal (2014)
  • Author(s): S. Yanagisawa, K. Yamauchi, T. Inaoka, T. Oguchi, I. Hamada
  • Journal Title: Phys. Rev. B Volume: 90 Issue: 24
  • DOI: 10.1103/physrevb.90.245141
  • Peer Reviewed / Open Access / Acknowledgement Compliant
• [Journal Article] Non-Markovian reduced dynamics of ultrafast charge transfer at an oligothiophene–fullerene heterojunction (2014)
  • Author(s): K. H. Hughes, B. Cahier, R. Martinazzo, H. Tamura, I. Burghardt
  • Journal Title: Chem. Phys. Volume: 442 Pages: 111-118
  • DOI: 10.1016/j.chemphys.2014.06.015
  • Peer Reviewed / Open Access
• [Journal Article] Exciton diffusion length and charge mobility in donor and acceptor materials in organic photovoltaics: Tetrabenzoporphyrin and silylmethyl[60] fullerene (2014)
  • Author(s): H. Tamura, Y. Matsuo
  • Journal Title: Chem. Phys. Lett. Volume: 598 Pages: 81-85
  • DOI: 10.1016/j.cplett.2014.03.013
  • Peer Reviewed / Open Access
• [Presentation] Atomic and electronic structures of organic semiconductors (2019)
  • Author(s): N.Kobayashi
  • Organizer: Symposium on 3D Active-site Science in London
  • Int'l Joint Research
• [Presentation] 有機半導体の活性サイトの理論 (2019)
  • Author(s): 小林伸彦
  • Organizer: 第9回 ３Ｄ活性サイト科学 成果報告会
• [Presentation] 波束拡散法を用いた有機半導体の熱電物性計算 (2019)
  • Author(s): 石井宏幸、小林伸彦、広瀬賢二
  • Organizer: 日本物理学会第74回年次大会
• [Presentation] 有機半導体の価電子帯構造におけるSHOMOの効果 (2019)
  • Author(s): 黒田悠暉、石井宏幸、吉野さやか、三谷真人、岡本敏宏、竹谷純一、小林伸彦
  • Organizer: 日本物理学会第74回年次大会
• [Presentation] 有機半導体の結晶構造とキャリア移動度の予測：移動度予測シミュレーション (2019)
  • Author(s): 石井宏幸、小畑繁昭、新津直幸、渡邉峻一郎、後藤仁志、広瀬賢二、小林伸彦、岡本敏宏、竹谷純一
  • Organizer: 第66回応用物理学会春季学術講演会
• [Presentation] First-Principles Study of Charge Transport in Organic Semiconductors (2018)
  • Author(s): N.Kobayashi, H.Ishii, K.Hirose
  • Organizer: ACSIN-14 & ICSPM26
  • Int'l Joint Research
• [Presentation] Second-Highest-Occupied-Orbital Effects on Valence Band Structure of Organic Semiconductors (2018)
  • Author(s): Y. Kuroda, H. Ishii, S. Yoshino and N. Kobayashi
  • Organizer: ACSIN-14 & ICSPM26
  • Int'l Joint Research
• [Presentation] High-Performance Simulation for Quantum Charge Transport in Large-Scale Materials (2018)
  • Author(s): H. Ishii and N. Kobayashi
  • Organizer: American international Meeting on Electrochemistry and Solid state science
  • Int'l Joint Research
• [Presentation] 非平衡グリーン関数法によるナノコンタクト系の電子輸送計算 (2018)
  • Author(s): 高木博和, 小林伸彦, 広瀬賢二
  • Organizer: 日本物理学会2018年秋季大会
• [Presentation] 有機半導体の活性サイトの理論 (2018)
  • Author(s): 小林伸彦
  • Organizer: 第8回 ３Ｄ活性サイト科学 成果報告会
• [Presentation] 大規模計算による有機半導体の熱・電荷輸送 (2018)
  • Author(s): 小林伸彦
  • Organizer: 日本物理学会, 第73回年次大会シンポジウム「柔らかな界面における熱・電荷輸送」
  • Invited
• [Presentation] 有機半導体の有効質量におけるNHOMOの効果 (2018)
  • Author(s): 黒田悠暉, 石井宏幸, 小林伸彦
  • Organizer: 日本物理学会第73回年次大会
• [Presentation] 低分子系および高分子系有機半導体におけるキャリア伝導計算 (2018)
  • Author(s): 石井宏幸, 新津直幸, 小林伸彦, 広瀬賢二, 渡邉峻一郎, 岡本敏宏, 竹谷純一
  • Organizer: 日本物理学会第73回年次大会
• [Presentation] 有機半導体の電子伝導計算のための波束拡散法とTransient localization model (2017)
  • Author(s): 石井宏幸, 小林伸彦, 広瀬賢二
  • Organizer: 日本物理学会第72回年次大会
  • Place of Presentation: 大阪大学（大阪府、豊中市）
  • Year and Date: 2017-03-17
• [Presentation] 第一原理計算に基づく量子波束ダイナミクスを用いた様々な有機半導体の移動度評価, (2017)
  • Author(s): 石井宏幸、小林伸彦
  • Organizer: 第64回応用物理学会春季学術講演会
  • Place of Presentation: パシフィコ横浜(神奈川県、横浜市）
  • Year and Date: 2017-03-14
• [Presentation] Theory of charge and heat transport at the atomistic level, (2017)
  • Author(s): N.Kobayashi
  • Organizer: 25th International Colloquium on Scanning Probe Microscopy
  • Int'l Joint Research / Invited
• [Presentation] Electrical and thermal transport calculations at the atomistic level (2017)
  • Author(s): N.Kobayashi
  • Organizer: Energy Materials Nanotechnology 2D Materials
  • Int'l Joint Research / Invited
• [Presentation] Determination of geometric and electronic structures of organic crystals from first principles: Role of the molecular configuration on the electronic structure (2017)
  • Author(s): S. Yanagisawa
  • Organizer: 3rd Computational Chemistry (CC) Symposium of ICCMSE 2017
  • Int'l Joint Research / Invited
• [Presentation] Electronic states and intermolecular interactions of phenacene crystals (2017)
  • Author(s): S. Sato, Y. Kishi, H. Ishii and N. Kobayashi
  • Organizer: The 8th International Symposium on Surface Science (ISSS-8)
  • Int'l Joint Research
• [Presentation] Analysis of SAMO orbitals of C60 using density functional theory (2017)
  • Author(s): S. Oka, H. Ishii and N. Kobayashi
  • Organizer: The 8th International Symposium on Surface Science (ISSS-8)
  • Int'l Joint Research
• [Presentation] Analysis of Crystal Structures of [n]phenacenes by First-Principles Calculations (2017)
  • Author(s): Y. Kishi, T. Maeda, H. Ishii, S. Yanagisawa, Y. Wakabayashi, R. Eguchi, Y. Kubozono?and N. Kobayashi
  • Organizer: The 8th International Symposium on Surface Science (ISSS-8)
  • Int'l Joint Research
• [Presentation] Electronic State Calculations of 5,15-bis(triisopropylsilyl)ethynyltetrabenzoporphyrin (2017)
  • Author(s): Y. Kuroda, H. Ishii and N. Kobayashi
  • Organizer: The 8th International Symposium on Surface Science (ISSS-8)
  • Int'l Joint Research
• [Presentation] 有機半導体における結晶構造・分子配置の電子状態への影響について (2017)
  • Author(s): 柳澤 将
  • Organizer: 研究会 化学反応のポテンシャル曲面とダイナミックス
  • Invited
• [Presentation] 波束拡散法によるカーボンナノチューブと有機半導体の電子伝導計算 (2017)
  • Author(s): 石井宏幸, 小林伸彦, 広瀬賢二
  • Organizer: 日本物理学会2017年秋季大会
• [Presentation] カルコゲノフェン系新規有機半導体材料の第一原理計算 (2016)
  • Author(s): 前田崇博, 佐藤駿介, 石井宏幸, 小林伸彦, ヤンユソク, 安田琢麿
  • Organizer: 物性研究所短期研究会 「原子層上の活性サイトで発現する局所機能物性」
  • Place of Presentation: 東京大学柏(千葉県、柏市）
  • Year and Date: 2016-12-20
• [Presentation] [n]フェナセンの結晶構造の第一原理計算 (2016)
  • Author(s): 季子祐太郎, 前田崇博, 石井宏幸, 小林伸彦, 柳澤将, 若林裕助, 江口律子, 久保園芳博,
  • Organizer: 物性研究所短期研究会 「原子層上の活性サイトで発現する局所機能物性」
  • Place of Presentation: 東京大学柏(千葉県、柏市）
  • Year and Date: 2016-12-20
• [Presentation] フェナセンの電子状態と分子間相互作用 (2016)
  • Author(s): 佐藤駿介, 季子祐太郎, 前田崇博, 石井宏幸,小林伸彦
  • Organizer: 物性研究所短期研究会 「原子層上の活性サイトで発現する局所機能物性」
  • Place of Presentation: 東京大学柏(千葉県、柏市）
  • Year and Date: 2016-12-20
• [Presentation] フェナセン結晶構造と電子状態の第一原理計算 (2016)
  • Author(s): 前田崇博, 季子祐太郎, 佐藤 駿介, 石井宏幸, 柳澤将, 小林 伸彦
  • Organizer: 2016年真空・表面科学合同講演会
  • Place of Presentation: 名古屋国際会議場(愛知県、名古屋市）
  • Year and Date: 2016-11-29
• [Presentation] 低分子有機半導体のキャリア輸送計算 (2016)
  • Author(s): 小林伸彦
  • Organizer: 日本物理学会２０１６年秋季大会シンポジウム「有機半導体の柔らかい固体物理に対する計算科学と実験の最前線」
  • Place of Presentation: 金沢大学（石川県、金沢市）
  • Year and Date: 2016-09-13
  • Invited
• [Presentation] 基準振動解析を用いた有機半導体のキャリア伝導計算 (2016)
  • Author(s): 石井宏幸, 小林伸彦, 広瀬賢二
  • Organizer: 日本物理学会2016年秋季大会
  • Place of Presentation: 金沢大学（石川県、金沢市）
  • Year and Date: 2016-09-13
• [Presentation] ファンデルワールス密度汎関数法に基づくワニエ関数を用いた有機半導体のキャリア伝導計算 (2016)
  • Author(s): 石井宏幸, 小林伸彦, 広瀬賢二
  • Organizer: 日本物理学会 第71回年次大会
  • Place of Presentation: 東北学院大学、宮城県仙台市
  • Year and Date: 2016-03-19
• [Presentation] 有機半導体の分子間相互作用の圧力効果の第一原理計算 (2016)
  • Author(s): 前田崇博, 石井宏幸, 広瀬賢二, 竹谷純一, 小林伸彦
  • Organizer: 日本物理学会 第71回年次大会
  • Place of Presentation: 東北学院大学、宮城県仙台市
  • Year and Date: 2016-03-19
• [Presentation] TiN/MgOナノ薄膜における熱電物性 (2016)
  • Author(s): 高木博和, 小林一昭, 下野昌人, 小林伸彦, 広瀬賢二
  • Organizer: 日本物理学会 第71回年次大会
  • Place of Presentation: 東北学院大学、宮城県仙台市
  • Year and Date: 2016-03-19
• [Presentation] 有機薄膜太陽電池の光電変換機構の理論研究 (2016)
  • Author(s): 田村宏之
  • Organizer: 応用物理学会シンポジウム
  • Place of Presentation: 東京工業大学、東京都目黒区
  • Year and Date: 2016-03-19
  • Invited
• [Presentation] ハイエンド有機半導体の理論設計システムの開発 (2016)
  • Author(s): 小林伸彦
  • Organizer: ハイエンド有機半導体研究開発・研修センター第11会研究会
  • Place of Presentation: 東京大学山上会館,東京都文京区
  • Year and Date: 2016-02-24
  • Invited
• [Presentation] 有機結晶・会合体における分子軌道間相互作用の電子構造への影響に関する理論的研究 (2016)
  • Author(s): 柳澤 将
  • Organizer: 第4回CUTEシンポジウム:コンピュータ化学「京コンピュータと理論化学」
  • Place of Presentation: 三重大学（三重県、津市）
  • Invited
• [Presentation] Theory of Thermoelectrics for Magnetic Semiconductors (2016)
  • Author(s): N. Kobayashi
  • Organizer: NIMS-Intra CREST MiniWorkshop“New Routes and Materials for Enhancing Thermoelectrics”
  • Place of Presentation: NIMS(Ibaraki, Tsukuba)
  • Int'l Joint Research
• [Presentation] First-principles investigation on the electronic states of the organic single-crystals and the organic-metal interfaces: importance of accurate prediction of the crystal and the interface structure (2015)
  • Author(s): S. Yanagisawa
  • Organizer: OIST seminar, Okinawa Institute of Science and Technology (OIST)
  • Place of Presentation: Okinawa, Japan
  • Year and Date: 2015-12-15
  • Int'l Joint Research / Invited
• [Presentation] グラファイト表面に吸着したペンタセン分子膜の電子状態に関する理論的研究 (2015)
  • Author(s): 川那辺剛, 柳澤 将, 稲岡毅
  • Organizer: 第15回琉球物性研究会
  • Place of Presentation: 琉球大学,沖縄県中頭郡西原町
  • Year and Date: 2015-11-28
• [Presentation] 有機分子の光吸収・発光における理論的研究 (2015)
  • Author(s): 照屋 遼, 柳澤 将, 稲岡 毅
  • Organizer: 第15回琉球物性研究会
  • Place of Presentation: 琉球大学,沖縄県中頭郡西原町
  • Year and Date: 2015-11-28
• [Presentation] Charge separation mechanisms at donor-acceptor heterojunctions in organic photovoltaics (2015)
  • Author(s): Hiroyuki Tamura
  • Organizer: International Conference on Theoretical and High Performance Computational Chemistry
  • Place of Presentation: 青島、中国
  • Year and Date: 2015-09-26
  • Int'l Joint Research / Invited
• [Presentation] 非断熱量子動力学法による有機光電変換系の研究 (2015)
  • Author(s): 田村宏之
  • Organizer: 非断熱量子動力学とその周辺
  • Place of Presentation: 東京大学、東京都文京区
  • Year and Date: 2015-09-20
  • Invited
• [Presentation] 第一原理計算と量子ダイナミックス計算を統合した有機光電変換系の理論研究 (2015)
  • Author(s): 田村宏之
  • Organizer: 次世代有機太陽電池シンポジウム「次世代有機太陽電池の動向と展望～実験と理論の連携～」
  • Place of Presentation: 首都大学東京、東京都八王子市
  • Year and Date: 2015-09-19
  • Invited
• [Presentation] 有機半導体のキャリア伝導の分子振動とトラップポテンシャル依存性 (2015)
  • Author(s): 石井宏幸, 小林伸彦, 広瀬賢二
  • Organizer: 日本物理学会2015年秋季大会
  • Place of Presentation: 関西大学、大阪府吹田市
  • Year and Date: 2015-09-16
• [Presentation] ナノ薄膜における熱電効果の理論計算 (2015)
  • Author(s): 高木博和, 小林一昭, 下野昌人, 小林伸彦, 広瀬賢二
  • Organizer: 日本物理学会2015年秋季大会
  • Place of Presentation: 関西大学、大阪府吹田市
  • Year and Date: 2015-09-16
• [Presentation] グラファイト表面に吸着したペンタセン分子膜の電子状態に関する理論的研究 (2015)
  • Author(s): 川那辺剛, 柳澤 将, 稲岡 毅
  • Organizer: 日本物理学会2015年秋期大会
  • Place of Presentation: 関西大学,大阪府吹田市
  • Year and Date: 2015-09-16
• [Presentation] アセン誘導体結晶中の一重項励起子分裂機構の量子動力学的研究 (2015)
  • Author(s): 田村宏之, Miquel Huix - Rotllant , Irene Burghardt, Yoann Olivier, David Beljonne
  • Organizer: 分子科学討論会
  • Place of Presentation: 東京工業大学、東京都目黒区
  • Year and Date: 2015-09-16
• [Presentation] 歪み導入による塗布有機半導体単結晶の70%移動度増加効果 (2015)
  • Author(s): 窪 孝祥, Haeusermann Roger, 鶴見淳人, 添田淳史, 岡田悠悟, 山下 侑, 赤松範久, 宍戸 厚, 三津井親彦, 岡本敏宏, 柳澤 将, 松井弘之, 竹谷純一
  • Organizer: 第76回応用物理学会秋期学術講演会
  • Place of Presentation: 名古屋国際会議場,愛知県名古屋市
  • Year and Date: 2015-09-13
• [Presentation] Transport calculations of charge carrier coupled with molecular vibrations of organic semiconductors (2015)
  • Author(s): H. Ishii, N. Kobayashi, K. Hirose
  • Organizer: European Conference on Surface Science (ECOSS-31)
  • Place of Presentation: Barcelona, Spain
  • Year and Date: 2015-08-31
  • Int'l Joint Research
• [Presentation] Quantum dynamics of excitonic processes in functional organic polymer materials (2015)
  • Author(s): Hiroyuki Tamura
  • Organizer: IUPAC-2015
  • Place of Presentation: 釜山、韓国
  • Year and Date: 2015-08-06
  • Int'l Joint Research / Invited
• [Presentation] Theoretical study on mechanisms of photo-induced charge separation in organic photovoltaics (2015)
  • Author(s): Hiroyuki Tamura
  • Organizer: Energy Materials and Nanotechnolog
  • Place of Presentation: 青島、中国
  • Year and Date: 2015-06-14
  • Int'l Joint Research / Invited
• [Presentation] Quantum dynamics of singlet fission in acene crystals (2015)
  • Author(s): Hiroyuki Tamura
  • Organizer: TSRC Workshop: Quantum dynamics and spectroscopy in condensed-phase materials and bio-systems
  • Place of Presentation: Colorado, USA
  • Year and Date: 2015-06-08
  • Int'l Joint Research / Invited
• [Presentation] 局所構造に由来する物性の第一原理計算による理論的研究 (2015)
  • Author(s): 柳澤 将
  • Organizer: 新学術領域研究「3D活性サイト科学」春の学校
  • Place of Presentation: 奈良春日野国際フォーラム, 奈良県奈良市
  • Year and Date: 2015-05-30
• [Presentation] Quantum Transport Calculations for Nanosystems (2015)
  • Author(s): N. Kobayashi
  • Organizer: Energy Materials Nanotechnology 2015
  • Place of Presentation: Phuket, Thailand
  • Year and Date: 2015-05-04
  • Int'l Joint Research / Invited
• [Presentation] 金属フタロシアニン結晶でのバンド分散の起源に関する理論的研究 (2015)
  • Author(s): 柳澤 将、山内邦彦、稲岡 毅、小口多美夫、濱田幾太郎
  • Organizer: 日本物理学会第70回年次大会
  • Place of Presentation: 早稲田大学 早稲田キャンパス
  • Year and Date: 2015-03-21 – 2015-03-24
• [Presentation] ペンタセン分子のグラファイト表面での電子状態に関する理論的研究 (2015)
  • Author(s): 川那辺剛、柳澤 将、稲岡 毅
  • Organizer: 日本物理学会第70回年次大会
  • Place of Presentation: 早稲田大学 早稲田キャンパス
  • Year and Date: 2015-03-21 – 2015-03-24
• [Presentation] 一軸性歪みによる塗布単結晶有機トランジスタの移動度の向上 (2015)
  • Author(s): 窪孝祥、鶴見淳人、山下侑、Roger Hausermann、松井弘之、柳澤将、宍戸厚、三津井親彦、岡本敏弘、竹谷純一
  • Organizer: 日本物理学会第70回年次大会
  • Place of Presentation: 早稲田大学 早稲田キャンパス
  • Year and Date: 2015-03-21 – 2015-03-24
• [Presentation] BCPの電子状態に関する理論的研究 (2015)
  • Author(s): 柳澤 将、畑田真之介、森川良忠、吉田弘幸
  • Organizer: 第62回応用物理学会春季学術講演会
  • Place of Presentation: 東海大学湘南キャンパス
  • Year and Date: 2015-03-11 – 2015-03-14
• [Presentation] The GW approximation applied to organic solids: band structure and polarization energ (2015)
  • Author(s): S. Yanagisawa
  • Organizer: 2015年度大阪大学産業科学研究所 学内共同研究会
  • Place of Presentation: 長浜ロイヤルホテル、滋賀
  • Year and Date: 2015-02-20 – 2015-02-21
  • Invited
• [Presentation] 有機半導体におけるバンド分散の起源・分子間相互作用について-亜鉛フタロシアニンなどを例に- (2014)
  • Author(s): 柳澤 将
  • Organizer: 元素戦略CREST合同研究会「物性理論と量子化学の接点～相対論の視点を中心として」
  • Place of Presentation: 有馬温泉、兵庫
  • Year and Date: 2014-12-25 – 2014-12-26
  • Invited
• [Presentation] Theoretical study on the cohesive properties of organic solids with the van der Waals density functional (2014)
  • Author(s): K.Okuma, S.Yanagisawa, K.Yamauchi, T.Inaoka, T.Oguchi and I.Hamada
  • Organizer: The 9th General Meeting of ACCMS-VO (Asian Consortium on Computational Materials Science - Virtual Organization)
  • Place of Presentation: 沖縄科学技術大学院大学（OIST）
  • Year and Date: 2014-12-20 – 2014-12-22
• [Presentation] ファン・デル・ワールス密度汎関数による有機結晶の理論的研究 (2014)
  • Author(s): 奥間公二、柳澤 将、稲岡 毅
  • Organizer: 第14回琉球物性研究会
  • Place of Presentation: 琉球大学千原キャンパス
  • Year and Date: 2014-11-22
• [Presentation] Atomistic calculations of thermal transport in nanosystems (2014)
  • Author(s): N.Kobayashi, K.Yamamoto, H.Ishii, and K.Hirose
  • Organizer: ICN+T2014
  • Place of Presentation: Colorado, USA
  • Year and Date: 2014-07-20 – 2014-07-25
• [Presentation] Strong correlation between thermal fluctuation effects and phase coherence factor in carrier transport of single-crystal organic semiconductors (2014)
  • Author(s): N. Kobayashi, T. Fukami, H. Ishii, T. Uemura, J. Takeya, and K. Hirose
  • Organizer: ICSM2014
  • Place of Presentation: Turku, Finland
  • Year and Date: 2014-06-30 – 2014-07-05
• [Book] Theory of Electrical Conduction in 3D Local Structure and Functionality Design of Materials, Eds. H. Daimon and Y. C. Sasaki (2019)
  • Author(s): N. Kobayashi, H. Ishii, K. Hirose
  • Total Pages: 13
  • Publisher: World Scientific Publishing
  • ISBN: 9789813273665
• [Book] Theoretical Chemistry for Advanced Nanomaterials - Functional Analysis by Computation and Experiment (2019)
  • Author(s): S. Yanagisawa and I. Hamada
  • Publisher: Springer Nature
• [Book] 機能構造科学入門、6章 電気伝導理論 (2016)
  • Author(s): 小林伸彦、石井宏幸、広瀬賢二
  • Total Pages: 166
  • Publisher: 丸善出版
• [Book] Quantum transport calculations for nanosystems (2014)
  • Author(s): K.Hirose, N.Kobayashi
  • Total Pages: 512
  • Publisher: Pan Stanford Publishing
• [Remarks] 3D活性サイト科学
• [Remarks] 筑波大学小林研
• [Remarks] 3D活性サイト科学
• [Remarks] 筑波大学小林研
• [Remarks] 筑波大学 小林研究室
• [Remarks] 3D活性サイト科学
  • URL: http://www.3d-activesite.jp/
• [Remarks] ３Ｄ活性サイト科学
  • URL: http://www.3d-activesite.jp/
• [Remarks] 筑波大学小林研
  • URL: http://www.bk.tsukuba.ac.jp/~cmslab/
• [Remarks] 小林研ホームページ