Development of multiphysics simulator using perceptron type interatomic model

Research Project

Project/Area Number	16K14110
Research Category	Grant-in-Aid for Challenging Exploratory Research
Allocation Type	Multi-year Fund
Research Field	Materials/Mechanics of materials
Research Institution	The University of Tokyo
Principal Investigator	Umeno Yoshitaka 東京大学, 生産技術研究所, 准教授 (40314231)
Project Period (FY)	2016-04-01 – 2018-03-31
Project Status	Completed (Fiscal Year 2017)
Budget Amount *help	¥3,380,000 (Direct Cost: ¥2,600,000、Indirect Cost: ¥780,000) Fiscal Year 2017: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000) Fiscal Year 2016: ¥2,210,000 (Direct Cost: ¥1,700,000、Indirect Cost: ¥510,000)
Keywords	ナノマイクロ材料力学 / 原子モデル解析
Outline of Final Research Achievements	This study aimed to establish a scheme of multiphysics simulation for large-scale atomistic models, which had been long-awaited to realize highly accurate design method for functional devices. We constructed an algorithm to output interatomic energy and information of electron structures (e.g. electron density of states) from atomistic structures, based on perceptron-type energy functions, which is one of artificial neural network (ANN) models. We focused on electron density of states and succeeded in the establishment of an ANN model to obtain integrated electron density of states as a function of electron energy level.

Report

(3 results)