• Search Research Projects
  • Search Researchers
  • How to Use
  1. Back to previous page

Highly efficient and highly accurate program for evaluation of optical property using MRMW

Research Project

Project/Area Number 24550020
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Research Field Physical chemistry
Research InstitutionToyohashi University of Technology

Principal Investigator

SEKINO Hideo  豊橋技術科学大学, 工学(系)研究科(研究院), 教授 (40335104)

Project Period (FY) 2012-04-01 – 2015-03-31
Project Status Completed (Fiscal Year 2014)
Budget Amount *help
¥5,460,000 (Direct Cost: ¥4,200,000、Indirect Cost: ¥1,260,000)
Fiscal Year 2014: ¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000)
Fiscal Year 2013: ¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000)
Fiscal Year 2012: ¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000)
Keywords多重解像度多重ウェーブレット / madness / 応答関数方程式 / スケーラビリティ / ジェネリックコード / 多重解像度多重ウェーブレーット
Outline of Final Research Achievements

We developed a quantum chemical program system based upon Multiresolution Multi-wavelet basis set for evaluating dynamic polarizability in a wide frequency range.
The program“response”thus developed has same algorithmic format as“moldft”in madness, an open source computational science program which is efficient in next generation computational environments in the US and Japan. This program is capable to provide numeric results with arbitrary precision which is critical difference from traditional quantum chemical codes based upon Gaussian basis set. It is also designed to provide polarizability at near resonance region with sufficient precision and efficiency. We submitted the developed program as a part of madness program system, so that all the developer in the world can continue the development to adapt it with the future computational environments.

Report

(4 results)
  • 2014 Annual Research Report   Final Research Report ( PDF )
  • 2013 Research-status Report
  • 2012 Research-status Report
  • Research Products

    (26 results)

All 2015 2014 2013 Other

All Journal Article (3 results) (of which Peer Reviewed: 3 results) Presentation (23 results) (of which Invited: 5 results)

  • [Journal Article] Evaluation of frequency dependent non-linear optical property using2015

    • Author(s)
      Yukina Yokoi, Hiroki Ishimaru, Muneaki Kamiya, Hideo Sekino
    • Journal Title

      AIP Publishing

      Volume: 1649 Pages: 135-140

    • DOI

      10.1063/1.4913558

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Complete space quantum chemistry by Multiresolution Multiwavelet basis set2013

    • Author(s)
      Hideo SEKINO, Akira MATSUMURA, Yukina YOKOI, Tetsuya KATO
    • Journal Title

      International Journal of Wavelets, Multiresolution and Information Processing

      Volume: 11 Issue: 04 Pages: 1360008-1360008

    • DOI

      10.1142/s0219691313600084

    • Related Report
      2013 Research-status Report
    • Peer Reviewed
  • [Journal Article] Basis Set Limit Computation of Dynamic Polarizability at Near-Resonance Region2013

    • Author(s)
      Tetsuya Kato, Yukina Yokoi and Hideo Sekino
    • Journal Title

      International Journal of Quantum Chemistry

      Volume: 113 Pages: 286-289

    • Related Report
      2012 Research-status Report
    • Peer Reviewed
  • [Presentation] GPUを用いた量子ウォークのエラー抑制シミュレーション2015

    • Author(s)
      山田真理、齋藤暁、濱田信次、関野秀男
    • Organizer
      2015年電子情報通信学会総合大会
    • Place of Presentation
      立命館大学(草津市)
    • Year and Date
      2015-03-13
    • Related Report
      2014 Annual Research Report
  • [Presentation] Quantum dynamics in multiresolution multiwavelet space2015

    • Author(s)
      H.Sekino, Y.Niimura, S.Hamada and R.J.Harrison
    • Organizer
      International Workshop on New Frontier of Numerical Methods for Many-Body Correlations - Methodologies and Algorithms for Fermion Many-Body Problems
    • Place of Presentation
      東京大学(文京区)
    • Year and Date
      2015-02-18 – 2015-02-21
    • Related Report
      2014 Annual Research Report
  • [Presentation] Quantum Simulation using Multiresolution Multiwavelet (MRMW) basis set2015

    • Author(s)
      Hideo Sekino
    • Organizer
      IWTAQD12
    • Place of Presentation
      電気通信大学(調布市)
    • Year and Date
      2015-02-03
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] Quantum dynamics in multiresolution multiwavelet space2015

    • Author(s)
      Hideo Sekino
    • Organizer
      A Voyage From Molecules to Materials with NMQC(Numerical Methods for Quantum Chemistry - CTCC
    • Place of Presentation
      Tromso, Norway
    • Year and Date
      2015-01-14
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] An application of Density Matrix Embedding Theory on 6 membered ring systems2014

    • Author(s)
      Hideo Sekino
    • Organizer
      CMSI International Workshop 2014: Tensor Network Algorithms in Materials Science
    • Place of Presentation
      理化学研究所計算科学研究機構(神戸市)
    • Year and Date
      2014-10-20
    • Related Report
      2014 Annual Research Report
  • [Presentation] DFT Evaluation for Dynamic Non-linear Optical Property of enlarged molecules2014

    • Author(s)
      Hideo Sekino
    • Organizer
      RCTF2014
    • Place of Presentation
      Paris, France
    • Year and Date
      2014-06-30 – 2014-07-04
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] Frequency dependent molecular polarizability at near-resonance region using multi-resolution multi-wavelet basis set2014

    • Author(s)
      Yokoi Yukina, Hideo Sekino
    • Organizer
      RCTF2014
    • Place of Presentation
      Paris, France
    • Year and Date
      2014-06-30 – 2014-07-04
    • Related Report
      2014 Annual Research Report
  • [Presentation] An implementation of pseudo-potential in a quantum chemical program based on multi-wavelet basis set

    • Author(s)
      Shinri Yamada, Hideo Sekino
    • Organizer
      The 4th AICS International Symposium
    • Place of Presentation
      理化学研究所計算科学研究機構(AICS)(神戸市中央区港島南町7-1-26)
    • Related Report
      2013 Research-status Report
  • [Presentation] Effect of lattice constant on permittivity of semi-conductors

    • Author(s)
      Sayaka Morimoto, Tomoyuki Hamada, Hideo Sekino
    • Organizer
      2013 IWDTF
    • Place of Presentation
      筑波大学東京キャンパス文京校舎(東京都文京区大塚3-29-1)
    • Related Report
      2013 Research-status Report
  • [Presentation] Visualization of quantum reality

    • Author(s)
      T. Kato, A.Miyazaki, and H.Sekino
    • Organizer
      The Irago Conference 2013
    • Place of Presentation
      Irago Sea-Park & Spa Hotel(田原市伊良湖岬)
    • Related Report
      2013 Research-status Report
  • [Presentation] An Implementation of Pseudo-Potential in a quantum chemical program based on Multi-wavelet Basis set

    • Author(s)
      S. Yamada and H. Sekino
    • Organizer
      The Irago Conference 2013
    • Place of Presentation
      Irago Sea-Park & Spa Hotel(田原市伊良湖岬)
    • Related Report
      2013 Research-status Report
  • [Presentation] Multiresolution Multiwavelet based Quantum Simulation

    • Author(s)
      Hideo Sekino
    • Organizer
      CMSI International Satellite Meeting 2013 in Tokyo
    • Place of Presentation
      東京大学本郷キャンパス(東京都文京区本郷7-3-1)
    • Related Report
      2013 Research-status Report
    • Invited
  • [Presentation] Solving physical equation by quantum walk

    • Author(s)
      Hideo Sekino
    • Organizer
      CMSI International Satellite Meeting 2013 in Kobe
    • Place of Presentation
      理化学研究所計算科学研究機構(AICS)(神戸市中央区港島南町7-1-26)
    • Related Report
      2013 Research-status Report
  • [Presentation] 半導体誘電率における格子定数の影響

    • Author(s)
      森本沙也香、濱田智之、関野秀男
    • Organizer
      第60回応用物理学会春季学術講演会
    • Place of Presentation
      神奈川工科大学
    • Related Report
      2012 Research-status Report
  • [Presentation] 時間依存シュレディンガー方程式に基づく量子シミュレーションのGPUによる高速化

    • Author(s)
      増田拓弥、関野秀男
    • Organizer
      HPCS2013
    • Place of Presentation
      東京工業大学
    • Related Report
      2012 Research-status Report
  • [Presentation] 量子ウォーク法による時間依存シュレイーディンガー方程式の解法

    • Author(s)
      関野秀男、濱田信次、川畑雅之
    • Organizer
      第3回CMSI研究会
    • Place of Presentation
      自然科学研究機構
    • Related Report
      2012 Research-status Report
  • [Presentation] Theoretical quantum dynamics on new space representation

    • Author(s)
      Hideo Sekino
    • Organizer
      The International Meeting on Photodynamics
    • Place of Presentation
      S. Paulo, Brazil
    • Related Report
      2012 Research-status Report
    • Invited
  • [Presentation] 離散時間マスター方程式を用いた不均一媒体中での拡散過程の研究

    • Author(s)
      石井智茂、墨智成、関野秀男
    • Organizer
      第6回分子科学討論会
    • Place of Presentation
      東京大学
    • Related Report
      2012 Research-status Report
  • [Presentation] 多重解像度多重ウェーブレット基底関数による広周波数領域に対する動的分子分極率の理論算定法実装

    • Author(s)
      横井夕妃那、加藤哲也、関野秀男
    • Organizer
      第6回分子科学討論会
    • Place of Presentation
      東京大学
    • Related Report
      2012 Research-status Report
  • [Presentation] 局在基底による動的量子方程式の解

    • Author(s)
      関野秀男
    • Organizer
      第6回分子科学討論会
    • Place of Presentation
      東京大学
    • Related Report
      2012 Research-status Report
  • [Presentation] 長距離間相互作用補正密度汎関数法による分子の動的超分極率算定

    • Author(s)
      石丸広騎、浜田信次、関野秀男
    • Organizer
      第6回分子科学討論会
    • Place of Presentation
      東京大学
    • Related Report
      2012 Research-status Report
  • [Presentation] 量子ウォークによる時間依存シュレディンガー方程式の計算

    • Author(s)
      川畑雅之、関野秀男、浜田信次
    • Organizer
      第6回分子科学討論会
    • Place of Presentation
      東京大学
    • Related Report
      2012 Research-status Report
  • [Presentation] 時間依存シュレディンガー方程式に基づく量子シミュレーションのGPUによる高速化

    • Author(s)
      増田拓弥、関野秀男
    • Organizer
      第6回分子科学討論会
    • Place of Presentation
      東京大学
    • Related Report
      2012 Research-status Report

URL: 

Published: 2013-05-31   Modified: 2019-07-29  

Information User Guide FAQ News Terms of Use Attribution of KAKENHI

Powered by NII kakenhi