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2021 Fiscal Year Final Research Report

Unification of computational statistics and measurement technology by massively parallel machine

Research Project

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Project/Area Number 19H04125
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypeSingle-year Grants
Section一般
Review Section Basic Section 60100:Computational science-related
Research InstitutionTottori University

Principal Investigator

HOSHI Takeo  鳥取大学, 工学部, 准教授 (80272384)

Co-Investigator(Kenkyū-buntansha) 望月 出海  大学共同利用機関法人高エネルギー加速器研究機構, 物質構造科学研究所, 助教 (30579058)
福島 孝治  東京大学, 大学院総合文化研究科, 教授 (80282606)
Project Period (FY) 2019-04-01 – 2022-03-31
Keywords超並列計算 / 計算統計 / 2次元物質 / 次世代触媒 / 全反射高速陽電子回折 / データ駆動型感度解析 / ポピュレーションアニーリング型モンテカルロ法 / スーパーコンピュータ富岳
Outline of Final Research Achievements

Using advanced computational methods (optimization method and data-driven sensitivity analysis), we have developed and released a general-purpose measurement data analysis program, 2DMAT, and applied it to structural analysis experiments of two-dimensional materials (ultra-thin materials consisting of several atomic layers), which are promising candidates for industrial applications such as next-generataion catalysts and electronic devices. In particuar, we used the total reflection high-energy positron diffraction (TRHEPD) method, which is an innovative nondestructive measurement method at the Low-energy Positron Experimental Facility of the High Energy Accelerator Research Organization (KEK). Furthermore, high-performance computations (weakly scaled parallel computations) using the supercomputer "Fugaku" were achieved. The types of applicable experiments are expanded.

Free Research Field

計算科学

Academic Significance and Societal Importance of the Research Achievements

先端的コンピュータと先端的計算手法を,計測技術と融合させることで,新たなイノベーションに挑む研究である.本課題では全反射高速陽電子回折法を対象としたが,数理的アプローチは汎用であり,他実験(表面エックス線回折・低速電子回折)にも適用できる.成果物であるプログラム2DMATはネット公開され,学術・産業界の実験系研究者が無償で利用することができる.こうした計測イノベーションにより,物質開発サイクルが圧倒的に加速され,次世代触媒や次世代電子デバイスなどでの産業イノベーションへ昇華されることが期待される.

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Published: 2023-01-30  

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