New sampling method for leptokurtic distributions in QMC calculation
| Project/Area Number |
22760061
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| Research Category |
Grant-in-Aid for Young Scientists (B)
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| Allocation Type | Single-year Grants |
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| Research Field |
Engineering fundamentals
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| Research Institution | Japan Advanced Institute of Science and Technology |
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Principal Investigator |
MAEZONO Ryo 北陸先端科学技術大学院大学, 情報研究科, 准教授 (40354146)
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| Project Period (FY) |
2010 – 2011
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| Project Status |
Completed (Fiscal Year 2011)
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| Budget Amount *help |
¥3,510,000 (Direct Cost: ¥2,700,000、Indirect Cost: ¥810,000)
Fiscal Year 2011: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
Fiscal Year 2010: ¥1,950,000 (Direct Cost: ¥1,500,000、Indirect Cost: ¥450,000)
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| Keywords | 応用数学 / 確率論 / 計算物理 / 統計数学 / 物性理論 / 分布急尖性 / 量子モンテカルロ法 / 中心極限定理 / 第一原理計算 / 電子状態 |
|---|
| Research Abstract |
We implemented an improved sampling method for QMC electronic structure calculations with leptokurtotic behaviour is its sampling distribution. The leptokurtotic property is the origin of the numerical instabilities in variational opitimizations and evaluations of local forces. Some appropriate extended ensamble sampling is proved to give better numerical stability and faster convergence in the variational optimization.
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Report
(3 results)
Research Products
(56 results)
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[Presentation] Non-additivity in metallic tri-wire binding2011
Author(s)
Ryo Maezono, A. Misquetta, N. D. Drummond, and R. J. Needs
Organizer
Graphene Roadmap Consultation Workshop : First-Principles Computational Methodologies for Two-Dimensional, Materials
Place of Presentation
Lancaster University, Lancaster, UK
Year and Date
2011-09-14
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