Yamada Atsushi 山田篤志

… Alternative Names

山田篤志ヤマダアツシ

YAMADA Atsushi 山田篤志

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Researcher Number	10390676
Other IDs
Affiliation (Current)	2025: 防衛大学校(総合教育学群、人文社会科学群、応用科学群、電気情報学群及びシステム工学群), 応用科学群, 准教授
Affiliation (based on the past Project Information) *help	2019 – 2021: 筑波大学, 計算科学研究センター, 主任研究員 2013 – 2014: 名古屋大学, 工学(系)研究科(研究院), 助教 2009: 名古屋大学, 工学研究科, 助教 2008 – 2009: 名古屋大学, 大学院・工学研究科, 助教
Review Section/Research Field	Principal Investigator Basic Section 32010:Fundamental physical chemistry-related / Physical chemistry Except Principal Investigator Science and Engineering
Keywords	Principal Investigator 分子動力学シミュレーション / 溶媒効果 / マルチスケールモデル / 分光測定 / 分極力場モデル / 振動分光測定 / 分子振動分光 / 分極力場 / Maxwell方程式 / エネルギー緩和 … More / 自由電子 / プラズモン共鳴励起 / 金属ナノ粒子 / 分子シミュレーション / 光‐金属相互作用 / 量子古典混合系近似 / 量子古典混合系 / 量子効果 / シミュレーション / 量子ダイナミクス / プロトン移動反応 … More Except Principal Investigator 付加反応 / マイクロエマルジョン / プロトン移動反応 / 量子効果 / 量子古典混合系近似 / 可溶化反応 / 球状ミセル / 熱力学積分法 / (P)理論化学 / (H)溶液・コロイド / (E)化学反応 / (D)分子動力学 / プロトン移動 / ミセル / 量子ダイナミクス / 自由エネルギー / 分子動力学法 / 理論化学 / 溶液・コロイド / 化学反応 / 分子動力学 Less

分光測定を再現するMaxwell方程式と融合した分子動力学マルチスケール法の開発Principal Investigator
- Principal Investigator
  
  山田篤志
- Project Period (FY)
  2019 – 2021
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 32010:Fundamental physical chemistry-related
- Research Institution
  University of Tsukuba
溶媒環境依存性に注目したプロトン移動反応の量子ダイナミクスと分子機構の理論的研究Principal Investigator
- Principal Investigator
  
  山田篤志
- Project Period (FY)
  2013 – 2014
- Research Category
  
  Grant-in-Aid for Young Scientists (B)
- Research Field
  
  Physical chemistry
- Research Institution
  Nagoya University
Free energy calculation of molecular assemblies
- Principal Investigator
  
  OKAZAKI Susumu
- Project Period (FY)
  2006 – 2009
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  Nagoya University
  Institute for Molecular Science

All 2022 2021 2020 2019 2015 2014 2010 2009 2008 2006

All Journal Article Presentation

[Journal Article] 光・分子動力学統合の計算化学の開発：金属の光応答を記述する分子シミュレーション2022
- Author(s)
  山田篤志
- Journal Title
  
  The Molecular Simulation Society of Japan[分子シミュレーション学会誌] アンサンブル
  
  Volume: vol.24, No.1 Pages: 39-44
- NAID
  40022824223
- Data Source
  KAKENHI-PROJECT-19K05364
[Journal Article] Classical electronic and molecular dynamics simulation for optical response of metal system2021
- Author(s)
  Yamada Atsushi
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 155 Issue: 17 Pages: 174118-174118
- DOI
  10.1063/5.0067144
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-19K05364
[Journal Article] 光・分子動力学統合の計算化学を目指して2021
- Author(s)
  山田篤志
- Journal Title
  
  理論化学会誌「フロンティア」
  
  Volume: 第3巻 4号 Pages: 231-238
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19K05364
[Journal Article] Multiscale simulation of terahertz radiation process in benzimidazole crystal by impulsive stimulated Raman scattering2020
- Author(s)
  Atsushi Yamada
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 153 Issue: 24 Pages: 244506-244506
- DOI
  10.1063/5.0033308
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19K05364
[Journal Article] Multiscale coupled Maxwell’s equations and polarizable molecular dynamics simulation based on charge response kernel model2020
- Author(s)
  Yamada Atsushi
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 152 Issue: 9 Pages: 094110-094110
- DOI
  10.1063/1.5143742
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19K05364
[Journal Article] A molecular dynamics study of intramolecular proton transfer reaction of malonaldehyde in solution based upon a mixed quantum–classical approximation. II. Proton transfer reaction in non-polar solvent2015
- Author(s)
  Atsushi Yamada, Hidekazu Kojima, Susumu Okazakia
- Journal Title
  
  THE JOURNAL OF CHEMICAL PHYSICS
  
  Volume: ---
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PROJECT-25810003
[Journal Article] A molecular dynamics study of intramolecular proton transfer reaction of malonaldehyde in solutions based upon mixed quantum-classical approximation. I. Proton transfer reaction in water2014
- Author(s)
  Atsushi Yamada, Hidekazu Kojima, Susumu Okazakia
- Journal Title
  
  THE JOURNAL OF CHEMICAL PHYSICS
  
  Volume: 141 Issue: 8 Pages: 084509-084509
- DOI
  10.1063/1.4893933
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PROJECT-25810003
[Journal Article] A quantum equation of motion for chemical reaction systems on an adiabatic double-well potential surface in solution based on the framework of mixed quantum-classical molecular dynamics2008
- Author(s)
  A. Yamada, S. Okazaki
- Journal Title
  
  J. Chem. Phys. 128
- NAID
  120005510925
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066020
[Journal Article] Quantum Equation of Motion for Chemical Reaction Systems on an Adiabatic Double-well Potential Surface in Solution based on the Framework of Mixed Quantum-Classical Molecular Dynamics2008
- Author(s)
  A. Yamada and S. Okazaki
- Journal Title
  
  J. Chem. Phys. 128
  
  Pages: 0445071-8
- NAID
  120005510925
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066020
[Journal Article] A quantum equation of motion for chemical reaction systems on an adiabatic double-well potential surface in solution based on the framework of mixed quantum-classical molecular dynamics2008
- Author(s)
  A.Yamada and S.Okazaki
- Journal Title
  
  J.Chem.Phys. 128
- NAID
  120005510925
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066020
[Presentation] 光・分子動力学統合の計算化学を目指して2022
- Author(s)
  山田篤志
- Organizer
  北大理論化学シンポジウム：光と分子の相互作用
- Invited
- Data Source
  KAKENHI-PROJECT-19K05364
[Presentation] 金属内自由電子の古典的運動方程式を組み込んだ分子シミュレーションの開発：水溶液中ナノ粒子の光吸収とエネルギー緩和2022
- Author(s)
  山田篤志
- Organizer
  日本化学会第102春季年会
- Data Source
  KAKENHI-PROJECT-19K05364
[Presentation] Maxwell+ 分極力場MD マルチスケールシミュレーションの開発とDCMBI結晶の瞬間誘導ラマン散乱誘起テラヘルツ波発生プロセスの解析2021
- Author(s)
  山田篤志
- Organizer
  第23回理論化学討論会
- Data Source
  KAKENHI-PROJECT-19K05364
[Presentation] Maxwell+ 分極力場MD マルチスケールシミュレーションによるDCMBI結晶の瞬間誘導ラマン散乱誘起テラヘルツ波発生プロセス2021
- Author(s)
  山田篤志
- Organizer
  日本化学会春季年会
- Data Source
  KAKENHI-PROJECT-19K05364
[Presentation] Maxwell+ MD マルチスケールシミュレーションによるDCMBI結晶の瞬間誘導ラマン散乱誘起テラヘルツ波発生プロセス2021
- Author(s)
  山田篤志
- Organizer
  日本物理学会春季年会
- Data Source
  KAKENHI-PROJECT-19K05364
[Presentation] Electron and Phonon Dynamics in Nonlinear Optics by Multiscale First-Principles Simulation2021
- Author(s)
  Atsushi Yamada
- Organizer
  International Conference: Advanced Laser Technologies (ALT21)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K05364
[Presentation] 金属内自由電子の古典ダイナミクスを組み込んだ分子シミュレーションの開発：水溶液中ナノ粒子の光吸収とエネルギー緩和2021
- Author(s)
  山田篤志
- Organizer
  分子シミュレーション討論会
- Data Source
  KAKENHI-PROJECT-19K05364
[Presentation] Maxwell+ MD マルチスケールシミュレーションを用いたDCMBI結晶の瞬間誘導ラマン散乱誘起テラヘルツ波発生過程2020
- Author(s)
  山田篤志
- Organizer
  第34回分子シミュレーション討論会
- Data Source
  KAKENHI-PROJECT-19K05364
[Presentation] CRK分極モデルを用いたMaxwell + MD マルチスケールシミュレーションの開発および分光測定系への適用2020
- Author(s)
  山田篤志
- Organizer
  日本物理学会　第７５回年次年会
- Data Source
  KAKENHI-PROJECT-19K05364
[Presentation] Maxwell + MD multiscale simulation for vibrational spectroscopy2020
- Author(s)
  Atsushi Yamada
- Organizer
  CCS International Symposium 2020
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K05364
[Presentation] CRK分極モデルを用いたMaxwell + MDマルチスケールシミュレーションの開発2019
- Author(s)
  山田篤志
- Organizer
  第３３回分子シミュレーション討論会
- Data Source
  KAKENHI-PROJECT-19K05364
[Presentation] Mixed Quantum-Classical Molecular Dynamics Simulation of Intramolecular One-Dimensional Proton Transfer Reaction in Solution2010
- Author(s)
  A. Yamada, S. Okazaki
- Organizer
  International Symposium on Molecular Theory for Real Systems
- Place of Presentation
  Kyoto
- Data Source
  KAKENHI-PROJECT-18066020
[Presentation] Mixed Quantum-Classical Molecular Dynamics Simulation of Intramolecular Proton Transfer Reaction in Solution : One-Dimensional Quantization Model Study2009
- Author(s)
  A.Yamada, S.Okazaki
- Organizer
  The 69th Okazaki Conference on "New Frontier in Quantum Chemical Dynamics"
- Place of Presentation
  Okazaki Conference Center
- Data Source
  KAKENHI-PROJECT-18066020
[Presentation] 溶液中の分子内プロトン移動反応に対する量子古典混合系分子動力学シミュレーション2009
- Author(s)
  山田篤志、岡崎進
- Organizer
  第32回溶液化学シンポジウム
- Place of Presentation
  新潟コンベンションセンター
- Data Source
  KAKENHI-PROJECT-18066020
[Presentation] A Mixed Quantum-Classical Molecular Dynamics Approach to Proton Transfer Reaction of a Solute Molecule in Solution2008
- Author(s)
  S. Okazaki, A. Yamada
- Organizer
  15 th International Conference on the Properties of Water and Steam (ICPWS)
- Place of Presentation
  Radisson SAS Hotel, Berlin
- Data Source
  KAKENHI-PROJECT-18066020
[Presentation] A Mixed Quantum-Classical Molecular Dynamics Approach to Proton Transfer Reaction of a Solute Molecule in Solution2008
- Author(s)
  S. Okazaki, A. Yamada
- Organizer
  15th International Conference on the Properties of Water and Steam (ICPWS)
- Place of Presentation
  Berlin, Germany
- Data Source
  KAKENHI-PROJECT-18066020
[Presentation] A quantum dynamics simulation for proton transfer reaction in solution based upon a diabatic surface hopping method2006
- Author(s)
  S.Okazaki and A.Yamada
- Organizer
  12th International Conference on Retinal Proteins (ICRP) Satelite Meeting in Nagoya "Structure, Function & Evolution of Rhodopsins : Meachanisms of Proton Transfer and Color Tuning"
- Place of Presentation
  Nagoya
- Data Source
  KAKENHI-PROJECT-18066020
[Presentation] A quantum dynamics simulation for proton transfer reaction in solution based upon a diabatic surface hopping method2006
- Author(s)
  S. Okazaki, A. Yamada
- Organizer
  12th International Conference on Retinal Proteins (ICRP) Satelite Meeting in Nagoya "Structure, Function & Evolution of Rhodopsins: Meachanisms of Proton Transfer and Color Tuning"
- Place of Presentation
  Nagoya
- Year and Date
  2006-06-12
- Data Source
  KAKENHI-PROJECT-18066020

1. OKAZAKI Susumu (70194339)

# of Collaborated Projects: 1 results

# of Collaborated Products: 10 results
2. 三浦伸一 (10282865)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results

Yamada Atsushi 山田 篤志

山田 篤志 ヤマダ アツシ

YAMADA Atsushi 山田 篤志

Research Projects

Research Products

Co-Researchers

分光測定を再現するMaxwell方程式と融合した分子動力学マルチスケール法の開発Principal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

溶媒環境依存性に注目したプロトン移動反応の量子ダイナミクスと分子機構の理論的研究Principal Investigator

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

Free energy calculation of molecular assemblies

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

[Journal Article] 光・分子動力学統合の計算化学の開発：金属の光応答を記述する分子シミュレーション2022

Author(s)

Journal Title

NAID

Data Source

[Journal Article] Classical electronic and molecular dynamics simulation for optical response of metal system2021

Author(s)

Journal Title

DOI

Data Source

[Journal Article] 光・分子動力学統合の計算化学を目指して2021

Author(s)

Journal Title

Data Source

[Journal Article] Multiscale simulation of terahertz radiation process in benzimidazole crystal by impulsive stimulated Raman scattering2020

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Multiscale coupled Maxwell’s equations and polarizable molecular dynamics simulation based on charge response kernel model2020

Author(s)

Journal Title

DOI

Data Source

[Journal Article] A molecular dynamics study of intramolecular proton transfer reaction of malonaldehyde in solution based upon a mixed quantum–classical approximation. II. Proton transfer reaction in non-polar solvent2015

Author(s)

Journal Title

Data Source

[Journal Article] A molecular dynamics study of intramolecular proton transfer reaction of malonaldehyde in solutions based upon mixed quantum-classical approximation. I. Proton transfer reaction in water2014

Author(s)

Journal Title

DOI

Data Source

[Journal Article] A quantum equation of motion for chemical reaction systems on an adiabatic double-well potential surface in solution based on the framework of mixed quantum-classical molecular dynamics2008

Author(s)

Journal Title

NAID

Data Source

[Journal Article] Quantum Equation of Motion for Chemical Reaction Systems on an Adiabatic Double-well Potential Surface in Solution based on the Framework of Mixed Quantum-Classical Molecular Dynamics2008

Author(s)

Journal Title

NAID

Data Source

[Journal Article] A quantum equation of motion for chemical reaction systems on an adiabatic double-well potential surface in solution based on the framework of mixed quantum-classical molecular dynamics2008

Author(s)

Journal Title

NAID

Data Source

[Presentation] 光・分子動力学統合の計算化学を目指して2022

Author(s)

Organizer

Data Source

[Presentation] 金属内自由電子の古典的運動方程式を組み込んだ分子シミュレーションの開発：水溶液中ナノ粒子の光吸収とエネルギー緩和2022

Author(s)

Organizer

Data Source

Yamada Atsushi 山田篤志

山田篤志ヤマダアツシ

YAMADA Atsushi 山田篤志