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 proceedingChapterpeer-review

6 Citations (Scopus)


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 languageEnglish
Title of host publicationThe Fragment Molecular Orbital Method
Subtitle of host publicationPractical Applications to Large Molecular Systems
PublisherCRC Press
Number of pages26
ISBN (Electronic)9781420078497
ISBN (Print)9781420078480
Publication statusPublished - 2009 Jan 1


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