Development of Open Source Software for Phonon Properties in Materials Science

Growth of the semiconductor industry increases computer power exponentially. Our daily life is supported by accurate computer simulations as represented by weather forecasts. Computer simulations are realized by running software on computers. Many years ago, I started software development of a phonon calculation code, phonopy [1,2], for our own scientific interest.

By distributing it as open source software, many people started to use it. I also contribute to the software development
of a crystallographic symmetry finder, spglib [3]. Since crystal symmetry is ubiquitous in solid state science, many other software projects rely on it like a comic shown below. Popular scientific software is infrastructure. I would like to present
how we manage these scientific software projects in the modern era of the scientific community. Presently, I am interested in electron-phonon interaction calculation [4,5] and magnetic symmetry [6]. I would like to talk about our recent research activities.

[1] A.Togo et al., J.Phys.:Condens.Matter 35, 353001 (2023)
[2] A.Togo, J.Phys.Soc. Jpn. 92, 012001 (2023)
[3] A.Togo and ITanaka, https://arxiv.org/abs/1808.01590
[4] L.Chaput et al.,Phys.Rev.B 100, 174304 (2019)
[5] M.Engel, et al.,Phys.Rev.B 106, 094316 (2022)
[6] K. Shinohara, et al., https://arxiv.org/abs/2211.15008

Dr. Togo was awarded the Sir Martin Wood Prize at the Millennium Science Forum which took place in November 2021. The Millennium Science Forum was established in 1998 to promote scientific exchange between Britain and Japan and recognize the work of outstanding young Japanese researchers. The prize is named after Sir Martin Wood, founder of Oxford Instruments.