OHNISHI Yu-ya 大西裕也

Researcher Number	10646178
Other IDs
Affiliation (based on the past Project Information) *help	2016 – 2017: 神戸大学, システム情報学研究科, 助教 2015: 神戸大学, その他の研究科, 助教 2014: 神戸大学, システム情報学研究科, 助教
Review Section/Research Field	Principal Investigator Physical chemistry
Keywords	Principal Investigator 計算化学 / 電子状態理論 / クラスター / 大規模並列 / 量子化学計算 / 電子状態 / 電子状態計算 / 量子化学 / 光触媒

ナノサイズ半導体クラスターの水和構造とその光触媒性能に関する理論的研究Principal Investigator
- Principal Investigator
  
  大西裕也
- Project Period (FY)
  2017 – 2018
- Research Category
  
  Grant-in-Aid for Young Scientists (B)
- Research Field
  
  Physical chemistry
- Research Institution
  Kobe University
A Theoretical Study of Catalytic Reaction on Metal Clusters by Hybrid QM/QM MethodsPrincipal Investigator
- Principal Investigator
  
  OHNISHI Yu-ya
- Project Period (FY)
  2014 – 2016
- Research Category
  
  Grant-in-Aid for Young Scientists (B)
- Research Field
  
  Physical chemistry
- Research Institution
  Kobe University

All 2017 2016 2015 2014 Other

All Journal Article Presentation

[Journal Article] Perspective: Explicitly correlated electronic structure theory for complex systems2017
- Author(s)
  Andreas Grueneis, So Hirata, Yu-ya Ohnishi, Seiichiro Ten-no
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 146 Pages: 080901-080901
- DOI
  10.1063/1.4976974
- NAID
  120006369360
- Peer Reviewed / Acknowledgement Compliant / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26810007
[Journal Article] Explicitly correlated frequency-independent second-order green's function for accurate ionization energies2016
- Author(s)
  Yu-ya Ohnishi, Seiichiro Ten-no
- Journal Title
  
  Journal of Computational Chemistry
  
  Volume: 37 Pages: 2447-2453
- DOI
  10.1002/jcc.24468
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-26810007
[Journal Article] Massively parallel MP2-F12 calculations on the K computer2015
- Author(s)
  Y.-y. Ohnishi, K. Ishimura, and S. Ten-no
- Journal Title
  
  International Journal of Quantum Chemistry
  
  Volume: 115 Pages: 333-341
- DOI
  10.1002/qua.24819
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PROJECT-23350009, KAKENHI-PROJECT-26810007
[Journal Article] Interaction Energy of Large Molecules from Restrained Denominator MP2-F122014
- Author(s)
  Y.-y. Ohnishi, K. Ishimura, and S. Ten-no
- Journal Title
  
  Journal of Chemical Theory and Computation
  
  Volume: 111 Pages: 4857-4861
- DOI
  10.1021/ct500738g
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-23350009, KAKENHI-PROJECT-26810007
[Presentation] Explicitly correlated second-order Green’s Function (GF2-F12) for ionization energies2017
- Author(s)
  Yu-ya Ohnishi, Seiichiro Ten-no
- Organizer
  57th Sanibel Symposium
- Place of Presentation
  The King and Prince (St. Simons Island, GA, USA)
- Year and Date
  2017-02-19
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26810007
[Presentation] 露わに相関したグリーン関数法による高分子のイオン化ポテンシャルの高精度計算2016
- Author(s)
  大西裕也、天能精一郎
- Organizer
  第10回分子科学討論会2016
- Place of Presentation
  神戸ファッションマート（兵庫県神戸市）
- Year and Date
  2016-09-13
- Data Source
  KAKENHI-PROJECT-26810007
[Presentation] 超並列実装した露わに相関した電子状態理論による有機分子の高精度計算2016
- Author(s)
  大西裕也、石村和也、天能精一郎
- Organizer
  計算分子科学研究拠点第6回研究会
- Place of Presentation
  岡崎コンファレンスセンター（愛知県・岡崎市）
- Year and Date
  2016-03-14
- Data Source
  KAKENHI-PROJECT-26810007
[Presentation] 露わに相関した電子状態理論の超並列実装による有機電子材料の高精度計算2015
- Author(s)
  大西裕也、石村和也、天能精一郎
- Organizer
  第6回CMSI研究会
- Place of Presentation
  東京大学（東京都・文京区）
- Year and Date
  2015-12-07
- Data Source
  KAKENHI-PROJECT-26810007
[Presentation] 大規模高精度超並列電子状態計算2015
- Author(s)
  大西裕也
- Organizer
  第38回溶液化学プレシンポジウム
- Place of Presentation
  高知市文化プラザかるぽーと（高知県・高知市）
- Year and Date
  2015-10-20
- Invited
- Data Source
  KAKENHI-PROJECT-26810007
[Presentation] 露わに相関した二次のダイソン自己エネルギーによるイオン化ポテンシャルの計算
- Author(s)
  大西裕也、天能精一郎
- Organizer
  第８回分子科学討論会2014
- Place of Presentation
  広島大学、東広島
- Year and Date
  2014-09-21 – 2014-09-24
- Data Source
  KAKENHI-PROJECT-26810007
[Presentation] エネルギー分母を修正した二次の摂動論と分散相互作用系への適用
- Author(s)
  大西裕也、石村和也、天能精一郎
- Organizer
  第17回理論化学討論会
- Place of Presentation
  名古屋大学、名古屋
- Year and Date
  2014-05-22 – 2014-05-24
- Data Source
  KAKENHI-PROJECT-26810007
[Presentation] Accurate Calculation of Ionization Potential by Explicitly Correlated Quasi-particle Energy
- Author(s)
  Yu-ya Ohnishi, Seiichiro Ten-no
- Organizer
  11TH INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING
- Place of Presentation
  Metropolitan Hotel, Athens, Greece
- Year and Date
  2015-03-20 – 2015-03-23
- Data Source
  KAKENHI-PROJECT-26810007

1. 天能精一郎

# of Collaborated Projects: 0 results

# of Collaborated Products: 2 results

OHNISHI Yu-ya 大西 裕也

Research Projects

Research Products

Co-Researchers

ナノサイズ半導体クラスターの水和構造とその光触媒性能に関する理論的研究Principal Investigator

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

A Theoretical Study of Catalytic Reaction on Metal Clusters by Hybrid QM/QM MethodsPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

[Journal Article] Perspective: Explicitly correlated electronic structure theory for complex systems2017

Author(s)

Journal Title

DOI

NAID

Data Source

[Journal Article] Explicitly correlated frequency-independent second-order green's function for accurate ionization energies2016

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Massively parallel MP2-F12 calculations on the K computer2015

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Interaction Energy of Large Molecules from Restrained Denominator MP2-F122014

Author(s)

Journal Title

DOI

Data Source

[Presentation] Explicitly correlated second-order Green’s Function (GF2-F12) for ionization energies2017

Author(s)

Organizer

Place of Presentation

Year and Date

Data Source

[Presentation] 露わに相関したグリーン関数法による高分子の イオン化ポテンシャルの高精度計算2016

Author(s)

Organizer

Place of Presentation

Year and Date

Data Source

[Presentation] 超並列実装した露わに相関した電子状態理論による有機分子の高精度計算2016

Author(s)

Organizer

Place of Presentation

Year and Date

Data Source

[Presentation] 露わに相関した電子状態理論の超並列実装による有機電子材料の高精度計算2015

Author(s)

Organizer

Place of Presentation

Year and Date

Data Source

[Presentation] 大規模高精度超並列電子状態計算2015

Author(s)

Organizer

Place of Presentation

Year and Date

Data Source

[Presentation] 露わに相関した二次のダイソン自己エネルギーによるイオン化ポテンシャルの計算

Author(s)

Organizer

Place of Presentation

Year and Date

Data Source

[Presentation] エネルギー分母を修正した二次の摂動論と分散相互作用系への適用

Author(s)

Organizer

Place of Presentation

Year and Date

Data Source

[Presentation] Accurate Calculation of Ionization Potential by Explicitly Correlated Quasi-particle Energy

OHNISHI Yu-ya 大西裕也

[Presentation] 露わに相関したグリーン関数法による高分子のイオン化ポテンシャルの高精度計算2016