Developments of FMO Methodology and Graphical User Interface in ABINIT-MP

Tatsuya Nakano; Yuji Mochizuki; Akifumi Kato; Kaori Fukuzawa; Takeshi Ishikawa; Shinji Amari; Ikuo Kurisaki; Shigenori Tanaka

doi:10.1201/9781420078497-6

Developments of FMO Methodology and Graphical User Interface in ABINIT-MP

Tatsuya Nakano, Yuji Mochizuki, Akifumi Kato, Kaori Fukuzawa, Takeshi Ishikawa, Shinji Amari, Ikuo Kurisaki, Shigenori Tanaka

Research output: Chapter in Book/Report/Conference proceeding › Chapter

6 Citations (Scopus)

Abstract

The application of quantum chemical methods to large molecules such as proteins and DNAs remains a great challenge in computational chemistry. The calculations of electronic structures for biomolecules are usually difficult due to their huge size, and some models are needed to realize quantum mechanical calculations on such systems.

Original language	English
Title of host publication	The Fragment Molecular Orbital Method
Subtitle of host publication	Practical Applications to Large Molecular Systems
Publisher	CRC Press
Pages	37-62
Number of pages	26
ISBN (Electronic)	9781420078497
ISBN (Print)	9781420078480
DOIs	https://doi.org/10.1201/9781420078497-6
Publication status	Published - 2009 Jan 1
Externally published	Yes

ASJC Scopus subject areas

Chemistry(all)
Physics and Astronomy(all)

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10.1201/9781420078497-6

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AU - Kato, Akifumi

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AU - Ishikawa, Takeshi

AU - Amari, Shinji

AU - Kurisaki, Ikuo

AU - Tanaka, Shigenori

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Developments of FMO Methodology and Graphical User Interface in ABINIT-MP

Abstract

ASJC Scopus subject areas

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