International Workshop on Massively Parallel Programming for Quantum Chemistry and Physics (MPQCP 2024)

Date: January 9–10, 2024

Place: RIKEN (Wako)

For more details, please visit this page.

International Workshop on High-Performance Computing and Programming on Quantum Chemistry and Physics 2020

Date: January 15–17, 2020

Place: RIKEN R-CCS (Kobe)

For more details, please visit this page.

International Workshop on Massively Parallel Programming for Quantum Chemistry and Physics 2019

Date: January 15–17, 2019

Place: RIKEN R-CCS (Kobe)

International Workshop on Massively Parallel Programming for Quantum Chemistry and Physics 2018

Date: January 15–17, 2018

Place: RIKEN Wako Campus

Second China–Japan–Korea Tripartite Workshop on Theoretical and Computational Chemistry (CJK-WTCC-II)

Date: Janunary 20–23, 2015

Place: RIKEN AICS seminar room (1F) (seminar, registration)

Address: 7-1-26, Minatojima-minami-machi, Chuo-ku, Kobe, Hyogo, 650-0047, Japan

Computational Molecular Science Seminar

Latest seminar

Date: 2022/10/05 (Wed.) 13:45-
Place: room C107 at RIKEN R-CCS
Speaker: Prof. Charles Richard Arthur Catlow (Jagiellonian University, Poland)
Title: "Materials Chemistry Modeling and HEC Consortium in the UK"

Abstract:
TBA


Computational Molecular Science Seminar

Past seminars

2019

39th: 2019/08/13 Prof. So Hirata (Department of Chemistry, University of Illinois at Urbana-Champaign)

"Advances in many-body perturbation theory: Finite-temperature extension and stochastic algorithms"

38th: 2019/07/25 Dr. Erik Tellgren (Hylleraas Centre for Quantum Molecular Sciences, Department of Chemistry, University of Oslo)

"Unifying kinetic energy density and current density in density-functional theory"

2018

37th: 2019/03/14 羽場 宏光 博士 (国立研究開発法人理化学研究所 仁科加速器科学研究センター 核化学研究チーム)

"新元素の合成と化学"

36th: 2019/01/21 Prof. Roland Lindh 氏 (Uppsala University)

"Ab Initio calculation on muonic atoms and molecules"

35th: 2018/10/19 Dr. Marco Zaccaria 氏 (Boston College)

"Engineering a bioremediator: rational Directed Enzyme Evolution complements Artificial Selection"

34th: 2018/04/16 Dr. Luigi Genovese (French Alternative Energies and Atomic Energy Commission)

"Potentialities of wavelet formalism towards a reduction of the complexity of large scale electronic structure calculations"

33th: 2018/04/09 Dr. Andreas Savin

"Density functional theory without density functionals"

2017

32nd: 2018/02/20 東 雅大 氏 (琉球大学)

"凝縮系の励起状態反応ダイナミクスの定量的理解を目指して"

31st: 2018/01/19 徳久淳師 氏 (理化学研究所)

"ゲノム医療分子シミュレーション基盤構築に向けて -XFELデータ同化による生体高分子構造多形推定に関する研究-"

30th: 2017/12/04 松井正冬 氏 (京都大学)

"分子軌道論とバンド理論のハイブリッド計算手法の開発:担持金属触媒の埋め込みクラスターモデル "

29th: 2017/11/17 川下理日人 氏 (近畿大学)

"計算化学的手法による蛋白質間相互作用の解析と蛋白質間相互作用阻害剤の探索"

28th: 2017/10/02 山下雄史 氏 (東京大学)

"分子動力学シミュレーションによるタンパク質の分子認識の研究:分子デザインへの挑戦"

27th: 2017/09/04 島村孝平 (神戸大学)

"非平衡不規則系で起こる化学反応の理解を目的とした第一原理分子動力学法の開発"

26th: 2017/07/06 瀬波 大士 (京都大学)

"場の量子論に基づく電子スピンの方程式と電子のカイラリティ"

25th: 2017/06/02 竹中 規雄 (名古屋大学)

"Red Moon法による二次電池負極界面における被膜形成機構の理論的解析"

2015

21st: 2015/11/26 Prof. Marek J. Wojcik (Jagiellonian University, Poland)

"Vibrational Spectroscopy of Hydrogen-Bonded Complexes, Liquids and Solids"

20th: 2015/10/19 Prof. Shridhar R. Gadre (Indian Institute of Technology, Kanpur)

"Structures and spectra of large molecular clusters via electrostatic insights and tailoring approach"

19th: 2015/7/9 Dr. Ryousuke Ishizuka (Graduate School of Engineering Science, Osaka University)

"Application of Energy Representation Method to Free Energy Analysis of Carbon Dioxide absorbed in Ionic Liquids"

18th: 2015/6/5 Dr. Takao Otsuka (RIKEN Quantitative Biology Center)

"Application of large-scale electronic structure calculation to in silico molecular design"

17th: 2015/6/4 Dr. Takeshi Yamamoto (Department of Chemistry, Graduate School of Science, Kyoto University)

16th: 2015/5/18 Dr. Tomoki Kobori (RIKEN Quantitative Biology Center)

"Computational Drug Discovery based on Molecular Docking and Binding Free Energy calculation"

2014

15th: 2014/10/2 Dr. Sandeep Sharma (Princeton University)

"Tackling new problems and revisiting old ones using matrix product states"

14th: 2014/8/20 Dr. James S. M. Anderson (RIKEN, Computational Condensed Matter Physics Lab.)

"GKCI Truncation of the FCI Expansion for Solving the Electronic and Nuclear Schrodinger Equations"

13th: 2014/6/20 Prof. Bhanu Pratap Das (Theoretical Physics and Astrophysics Group, Indian Institute of Astrophysics, India)

"The God Particle (Higgs Boson): Computing its Footprints in an Atom"

12th: 2014/5/9 Dr. Taku Onhishi (Mie University)

"Molecular-orbital analyses in Kohn-Sham DFT calculations for energy-related materials"

11th: 2014/2/26 Prof. Satoshi Maeda (Hokkaido University)

"Development and applications of automated exploration program for chemical reaction pathways: possibilities and prospects of its massive parallelization"

2013

10th: 2013/10/25 Dr. Ryohei Kishi (Osaka University)

"Theoretical approach to clarify the relationship between linear responce property and molecular structure"

9th: 2013/7/24 Dr. Motomichi Tashiro (Institute for Molecular Science)

"Theoretical study on molecules with double core-hole vacancy: their properties and decay mechanism"

8th: 2013/6/26 Dr. Takaki Hatsui (RIKEN SPring-8 Center)

"New Interaction between Materials and X-ray at SACLA:
Connection with Quantum Chemistry"

7th: 2013/4/30 Prof. Marcus Elstner (Karlsruhe Institute of Technology)

"Multi-scale Methods for the Investigation of Biological Structures and Processes"

6th: 2013/4/9 Prof. Marek J. Wojcik (Jagiellonian University)

"Spectroscopy of hydrogen bond - theoretical modeling of spectra and proton tunneling"

5th: 2013/3/26 Prof. Pitor Piecuch (Michigan State University)

"Local Coupled-Cluster Methods for Chemical Reaction Pathways Involving Large Molecular Systems"

2012

4th: 2012/12/20 Dr. Taichi Kosugi (Advanced Industrial Science and Technology)

3rd: 2012/9/5 Prof. Yutaka Imamura (Waseda University)

"Development of next generation density functional theory"

2nd: 2012/3/23 Prof. G. Narahari Sastry (Indian Institute of Chemical Technology, Hyderabad)

"The Range and Relevance of Cation-pi interactions in Chemistry and Biology"

1st: 2012/3/8 Prof. Emmanuel Fromager (Université de Strasbourg)

"Multideterminal density-functional theory based on partially interacting electrons for both ground and excited states"