JpGU-AGU Joint Meeting 2020

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[J] Oral

M (Multidisciplinary and Interdisciplinary) » M-GI General Geosciences, Information Geosciences & Simulations

[M-GI39] Data-driven geosciences

convener:Tatsu Kuwatani(Japan Agency for Marine-Earth Science and Technology), Hiromichi Nagao(Earthquake Research Institute, The University of Tokyo), Kenta Ueki(Japan Agency for Marine-Earth Science and Technology), Shin-ichi Ito(The University of Tokyo)

[MGI39-09] Nano-simulation of Materials Science meets Earth Science

★Invited Papers

*Yasunobu Ando1 (1.National Institute for Advanced Industrial Science and Technology)

Keywords:clay materials, first-principles calculation, machine-learning potential, amorphous materials , ion adsorption

In the field of material science, first-principles calculations that describe materials from the nanoscale based on the quantum mechanics are widely used. Especially, application to battery research having a large economic impact has been actively promoted, and several new methodologies have been developed. These methodologies should be applicable to a wide range of material research. In this talk, I introduce theoretical research for ion dynamics in amorphous and hydrated layered compounds that were developed through battery research, and introduce issues in earth science, especially prospects for clay materials research.