SONG Jong-Won 宋鍾元

Researcher Number	70612167
Affiliation (based on the past Project Information) *help	2015 – 2017: 国立研究開発法人理化学研究所, 計算科学研究機構, 客員主管研究員 2014: 独立行政法人理化学研究所, 計算科学研究機構, 研究員
Review Section/Research Field	Principal Investigator Physical chemistry
Keywords	Principal Investigator TD-DFT / PBC / バンドエンジニアリング / バンド計算 / リニアスケーリング / Order-N化 / DFT / 個体の励起状態 / 吸着エネルギー / 固体表面の電子状態 / LC-DFT(2Gau）

The development of density functional theory which can describe excited electronic state of hybrid system with both molecule and periodic solid state and its applicationsPrincipal Investigator
- Principal Investigator
  
  SONG Jong-Won
- Project Period (FY)
  2014 – 2017
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical chemistry
- Research Institution
  Institute of Physical and Chemical Research

All 2017 2016 2015 2014

All Journal Article Presentation

[Journal Article] Facile Supramolecular Processing of Carbon Nanotubes and Polymers for Electromechanical Sensors2017
- Author(s)
  Kim Chae Bin、Jeong Ki Beom、Yang Beom Joo、Song Jong-Won、Ku Bon-Cheol、Lee Seunghyun、Lee Seoung-Ki、Park Chiyoung
- Journal Title
  
  Angewandte Chemie
  
  Volume: 129 Issue: 51 Pages: 16398-16403
- DOI
  10.1002/ange.201708111
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26410030
[Journal Article] Best of density-functional-based methods on intermolecular interaction energies2016
- Author(s)
  D. E. Taylor, J. G. Angyan, G. Galli, C. Zhang, F. Gygi, K. Hirao, J. W. Song, K. Rahul, O. A. von Lilienfeld, R. Podeszwa, I. W. Bulik, T. M. Henderson, G. E. Scuseria, J. Toulouse, R. Peverati, D. G. Truhlar, K. Szalewicz
- Journal Title
  
  J. Chem. Phys.
  
  Volume: 145 Issue: 12 Pages: 124105-124105
- DOI
  10.1063/1.4961095
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23225001, KAKENHI-PROJECT-26410030
[Journal Article] Performance of the OP correlation functional in relation to its formulation: Influence of the exchange component and the effect of incorporating same-spin correlations2016
- Author(s)
  Bun Chan, J.-W. Song, Y. Kawashima, and K. Hirao
- Journal Title
  
  Journal of Computational Chemistry
  
  Volume: 37 Issue: 14 Pages: 1306-1312
- DOI
  10.1002/jcc.24327
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26410030, KAKENHI-PROJECT-25870599, KAKENHI-PROJECT-23225001
[Journal Article] Long-range Corrected Density Functional Theory with Linearly-Scaled HF exchange2015
- Author(s)
  J.-W. Song, M. A. Watson, and K. Hirao
- Journal Title
  
  AIP Conference Proceedings
  
  Volume: 印刷中
- Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-26410030
[Journal Article] Molecules relevant for Organic Photovoltaics: A Range Separated Density Functional Study2015
- Author(s)
  R. Kar, M. P. Borpuzari, J.-W. Song, and K. Hirao
- Journal Title
  
  Molecular Physics
  
  Volume: 印刷中
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-26410030
[Journal Article] Molecules relevant for organic photovoltaics: a range-separated density functional study2015
- Author(s)
  R. Kar, M. P. Borpuzari, J.-W. Song, and K. Hirao
- Journal Title
  
  Molecular Physics
  
  Volume: 113 Issue: 19-20 Pages: 2930-2938
- DOI
  10.1080/00268976.2015.1059512
- Peer Reviewed / Acknowledgement Compliant / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26410030, KAKENHI-PROJECT-23225001
[Journal Article] Long-range corrected density functional theory with accelerated Hartree-Fock exchange integration using a two-Gaussian operator LC-omega PBE(2Gau)2015
- Author(s)
  J.-W. Song and K. Hirao
- Journal Title
  
  Journal of Chemical Physics
  
  Volume: 143 Issue: 14 Pages: 144112-144112
- DOI
  10.1063/1.4932687
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-26410030, KAKENHI-PROJECT-23225001
[Journal Article] Long-range Corrected Density Functional Theory with Linearly-Scaled HF exchange2015
- Author(s)
  J.-W. Song and K. Hirao
- Journal Title
  
  AIP Conference Proceedings
  
  Volume: 1702 Pages: 090062-090062
- DOI
  10.1063/1.4938870
- Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-26410030, KAKENHI-PROJECT-23225001
[Journal Article] Assessment of hybrid, meta-hybrid-GGA, and long-range corrected density functionals for the estimation of enthalpies of formation, barrier heights, and ionisation potentials of selected C1-C5 oxygenates2015
- Author(s)
  A. M. El-Nahas, J. M. Simmie, A. H. Mangood, K. Hirao, J.-W. Song, M. A. Watson, T. Taketsugu, and N. Koga
- Journal Title
  
  Molecular Physics
  
  Volume: 113 Issue: 13-14 Pages: 1630-1635
- DOI
  10.1080/00268976.2014.1002552
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26410030, KAKENHI-PROJECT-23225001
[Journal Article] Towards the Complete Range Separation of Non-Hybrid Exchange-Correlation Functional2015
- Author(s)
  B. Chan, J. W. Song, Y. Kawashima, K. Hirao
- Journal Title
  
  J. Comp. Chem.
  
  Volume: 36 Issue: 12 Pages: 871-877
- DOI
  10.1002/jcc.23867
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-25870599, KAKENHI-PROJECT-26410030, KAKENHI-PROJECT-23225001
[Journal Article] Efficient method of evaluation for Gaussian Hartree-Fock exchange operator for Gau-PBE functional2015
- Author(s)
  J.-W. Song and K. Hirao
- Journal Title
  
  Journal of Chemical Physics
  
  Volume: 143 Issue: 2 Pages: 024102-024102
- DOI
  10.1063/1.4923264
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-26410030, KAKENHI-PROJECT-23225001
[Presentation] Investigation of Reaction Paths for the Isomerization Reaction of A Solvaochromic Mercyanine Dye2017
- Author(s)
  Chun-Jae You, Jin-Jae Lee, Tae-Jong Kang and Jong-Won Song
- Organizer
  Daegu-Saga-Soochow University International Joint Symposium
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26410030
[Presentation] Density Functional study on metal Ion Selectivity of Thiophene Derivative Compounds2017
- Author(s)
  Jin-Jae Lee, Seung Hyun Chang and Jong-Won Song
- Organizer
  120st General Meeting of the Korean Chemical Society
- Data Source
  KAKENHI-PROJECT-26410030
[Presentation] Inside or Outside?: Quantum Chemical Studies on Intermolecular Binding Energy between Carbon Nano-tube and Aromatic Molecules2017
- Author(s)
  Dae-Hwan Ahn and Jong-Won Song
- Organizer
  Daegu-Saga-Soochow University International Joint Symposium
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26410030
[Presentation] Theory: A New partitioning scheme to model dispersion coefficients. Application: Study of thermochromic properties of PDAs via TD-DFT.2017
- Author(s)
  Ucak V. Umit and Jong-Won Song
- Organizer
  Daegu-Saga-Soochow University International Joint Symposium
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26410030
[Presentation] Development of DFT functional applicable to large molecular and periodic systems2017
- Author(s)
  Jong-Won Song
- Organizer
  120st General Meeting of the Korean Chemical Society
- Invited
- Data Source
  KAKENHI-PROJECT-26410030
[Presentation] Quantum Chemical Investigations of Intermolecular Binidng Energy between Carbon Nano-tube and Aromatic Molecules2017
- Author(s)
  Dae-Hwan Ahn and Jong-Won Song
- Organizer
  120st General Meeting of the Korean Chemical Society
- Data Source
  KAKENHI-PROJECT-26410030
[Presentation] Ab initio quantum chemical computational study on metal ion selectivity of thiophene derivative compounds2016
- Author(s)
  Tae Hwan Kim, Seung Hyun Chang and Jong-Won Song
- Organizer
  Conference of Korean Society for Imaging Science and Technology
- Place of Presentation
  Bukyung Unv. in Busan, Korea
- Data Source
  KAKENHI-PROJECT-26410030
[Presentation] Adsorption energy calculations using long-range corrected density functional theory between CO and metal system2015
- Author(s)
  J.-W. Song, H. Kawai, K. Yamashita, and K. Hirao
- Organizer
  第９回分子科学討論会
- Place of Presentation
  東京工業大学(東京都大田区)
- Year and Date
  2015-09-16
- Data Source
  KAKENHI-PROJECT-26410030
[Presentation] Development of DFT functional applicable to large molecular and periodic systems2015
- Author(s)
  J.-W. Song
- Organizer
  CJK-WTCC-II conference (2015)
- Place of Presentation
  RIKEN AICS, Kobe, Japan
- Year and Date
  2015-01-23
- Invited
- Data Source
  KAKENHI-PROJECT-26410030
[Presentation] Long-range Corrected Density Functional Theory with Linearly-Scaled HF exchange2015
- Author(s)
  J.-W. Song and K. Hirao
- Organizer
  ICCMSE (2015)
- Place of Presentation
  Metropolitan Hotel, Athens, GREECE
- Year and Date
  2015-03-23
- Data Source
  KAKENHI-PROJECT-26410030
[Presentation] ガウス関数を用いた長距離補正密度汎関数法の加速化2015
- Author(s)
  J.-W. Song and K. Hirao
- Organizer
  第18回理論化学討論会
- Place of Presentation
  大阪大学（大阪府豊中市）
- Year and Date
  2015-05-20
- Data Source
  KAKENHI-PROJECT-26410030
[Presentation] 長距離補正密度汎関数法による分子内電荷移動励起と分子間電荷移動励起の違いの解明2014
- Author(s)
  J.-W. Song and K. Hirao
- Organizer
  第17回理論化学討論会
- Place of Presentation
  名古屋大学、名古屋、日本
- Year and Date
  2014-05-23
- Data Source
  KAKENHI-PROJECT-26410030
[Presentation] Efficient evaluation of short-range Gaussian attenuation Hartree-Fock exchange for periodic systems and large molecules2014
- Author(s)
  J.-W. Song, M. A. Watson, and K. Hirao
- Organizer
  Molecular Electronic Structure (2014)
- Place of Presentation
  Amasya University, Amasya, TURKEY
- Year and Date
  2014-09-03
- Data Source
  KAKENHI-PROJECT-26410030

1. 川島雪生 (90452739)

# of Collaborated Projects: 1 results

# of Collaborated Products: 2 results
2. 平尾公彦

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results

SONG Jong-Won 宋 鍾元

Research Projects

Research Products

Co-Researchers

The development of density functional theory which can describe excited electronic state of hybrid system with both molecule and periodic solid state and its applicationsPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

[Journal Article] Facile Supramolecular Processing of Carbon Nanotubes and Polymers for Electromechanical Sensors2017

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Best of density-functional-based methods on intermolecular interaction energies2016

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Performance of the OP correlation functional in relation to its formulation: Influence of the exchange component and the effect of incorporating same-spin correlations2016

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Long-range Corrected Density Functional Theory with Linearly-Scaled HF exchange2015

Author(s)

Journal Title

Data Source

[Journal Article] Molecules relevant for Organic Photovoltaics: A Range Separated Density Functional Study2015

Author(s)

Journal Title

Data Source

[Journal Article] Molecules relevant for organic photovoltaics: a range-separated density functional study2015

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Long-range corrected density functional theory with accelerated Hartree-Fock exchange integration using a two-Gaussian operator LC-omega PBE(2Gau)2015

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Long-range Corrected Density Functional Theory with Linearly-Scaled HF exchange2015

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Assessment of hybrid, meta-hybrid-GGA, and long-range corrected density functionals for the estimation of enthalpies of formation, barrier heights, and ionisation potentials of selected C1-C5 oxygenates2015

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Towards the Complete Range Separation of Non-Hybrid Exchange-Correlation Functional2015

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Efficient method of evaluation for Gaussian Hartree-Fock exchange operator for Gau-PBE functional2015

Author(s)

Journal Title

DOI

Data Source

[Presentation] Investigation of Reaction Paths for the Isomerization Reaction of A Solvaochromic Mercyanine Dye2017

Author(s)

Organizer

Data Source

[Presentation] Density Functional study on metal Ion Selectivity of Thiophene Derivative Compounds2017

Author(s)

Organizer

Data Source

[Presentation] Inside or Outside?: Quantum Chemical Studies on Intermolecular Binding Energy between Carbon Nano-tube and Aromatic Molecules2017

Author(s)

Organizer

Data Source

[Presentation] Theory: A New partitioning scheme to model dispersion coefficients. Application: Study of thermochromic properties of PDAs via TD-DFT.2017

Author(s)

Organizer

Data Source

[Presentation] Development of DFT functional applicable to large molecular and periodic systems2017

SONG Jong-Won 宋鍾元