What’s MateriApps

A Portal Site of Materials Science Simulation for Computational Materials Science Researchers, Theoreticians, Experimentalists, and Computer Scientists

Software Development in Computational Materials Science

To make full use of leading edge computers like the K computer and to make advances in next generation materials science, development of the performance of computers themselves is not sufficient. In order to efficiently solve the fundamental equations of materials science, advances in computational science theory–in other words algorithms–have played an extremely important role. In the field of computational materials science, new methods are being proposed daily, and researchers are constantly testing them in applications. Meanwhile, the cost of optimization and enhancement in the development of applications as well as that of the software maintenance are beginning to increase as the computers become more massively parallel and larger scale. Also, to date there is little open-source software for materials science, due to the trouble and cost of document maintenance and user support involved in releasing software public. As a result, although a number of high-performance and high-precision application software have already been developed in Japan, the method, the software development itself, and the developers have not been evaluated fairly so far. The experimentalists and researchers in the private companies don’t even know the existence of such applications, and are mainly using open-source software from abroad or commercial software.

Achieving Increased “Visibility” for Materials Science Applications

MateriApps aims to promote materials science simulation software, and also to increase the visibility of the software developers. On MateriAps, we introduce the features and characteristics of various materials science simulation programs that have not been known widely or that are being developed in years to come. As for the open-source software, we also provide an environment with fully-developed manuals and tutorials in order to make it easy for users to try out the software. The users can search the applications multidimensionally based on things that they are interested in doing, such as calculation methods, target materials, interesting phenomena, physical quantities and so on. The developers themselves speak in their own words about the benefits of the software, as well as its future and applicability. Forums have also been set up for each software program, in order to encourage communication between users and developers.

Trial application

When attempting to try public software, installation of the software itself may be a major bottleneck. I will introduce the tool “MateriAppsLIVE!” Which can test the application with “no installation work”.

Click here for details

Wanted a review

In MateriApps we are looking for a review of those who actually used the application. It also becomes a reference for other users to select applications, such as comfort and questions.

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The Institute for Solid State Physics, The University of Tokyo (ISSP)
Center of Computational Materials Science

Planning, Production, and User Support

MateriApps Administration Team
Kota Ido, Shusuke Kasamatsu, Takeo Kato, Naoki Kawashima, Hikaru Kouta, Takahiro Misawa, Yuichi Motoyama, Synge Todo, and Kanako Yoshizawa
(contract) Ryouhei Kinoshita, Yoshio Miyamoto, and Shigehiro Tsuchida


Research Organization for Information Science and Technology
“Materials research by Information Integration” Initiative, National Institute for Materials Science


Post-K Priority Issue 7
Elements Strategy Initiatives
Professional development consortium Computational Materials Sceience
“Kakehashi (Linking bridge)”, a collaborative research seed grant, Tsukuba Innovation Arena (TIA)

Before 2016-04


Computational Materials Science Initiative (CMSI)
The Institute for Solid State Physics, The University of Tokyo (ISSP)
Institute for Molecular Science, National Institutes of Natural Sciences (IMS)
Institute for Materials Science, Tohoku University (IMR)

Planning, Production, and User Support

CMSI Public Relations Subcommittee
MateriApps Administration Team
Synge Todo, Ryo Igarashi, Kanako Yoshizawa, Takeo Kato, Naoki Kawashima, Yusuke Konishi, Shusuke Kasamatsu, Masashi Noda, Tsutomu Kawatsu, Yayoi Terada
(contract) Kazuyoshi Yoshimi, Shoichi Sasaki, Shigehiro Tsuchida


CMSI Elements Strategy Initiative Center
Center for Computational Materials Science, ISSP
Theoretical and Computational Chemistry Initiative, IMS
Computational Materials Research Initiative, IMR