ファイル種別: application/pdf
全ての絞り込みを解除

2266 件のレコードが見つかりました。

2021Miura_PhysRevMaterials.5.L101402.pdf
First-principles calculations on the spin anomalous Hall effect of ferromagnetic alloys
ジャーナル論文
著者
Yoshio Miura (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ; ORCID SAMURAI
キーワード
Density of states, Fermi surface, Magnetotransport, Spin-orbit coupling, Spintronics
刊行年月日
2021-10-29
更新時刻
2024-01-05 22:13:50 +0900
IMFP I_AuthorManuscript.pdf
Calculations of Electron Inelastic Mean Free Paths for 31 Materials
ジャーナル論文
著者
ORCID SAMURAI ;
Powell, C. J. (author) (この著者で検索)
National Bureau of Standards
;
Penn, D. R. (author) (この著者で検索)
National Bureau of Standards
キーワード
IMFP, inelastic mean free path, Bethe equation, TPP, elemental solids
刊行年月日
2004-09-15
更新時刻
2023-06-09 15:50:37 +0900
JAP_submit.pdf
Effectiveness of fluorine termination at nitrogen vacancies inside gallium nitride crystals based on first-principles calculations
ジャーナル論文
著者
Yuki Fujishiro (author) (この著者で検索)
ORCID ;
Tomoe Yayama (author) (この著者で検索)
ORCID ; ORCID SAMURAI ; ORCID SAMURAI ;
Fumiko Akagi (author) (この著者で検索)
ORCID
キーワード
Gallium nitride, First-principles calculations, Fluorine termination, Nitrogen vacancies
刊行年月日
2026-02-28
更新時刻
2026-04-03 10:13:47 +0900
Simple implementation examples of agent AI on free energy calculation and phase-field simulation.pdf
Simple implementation examples of agent AI on free energy calculation and phase-field simulation
ジャーナル論文
著者
Toshiyuki Koyama (author) (この著者で検索)
ORCID ; ORCID SAMURAI ; ORCID SAMURAI
キーワード
generative AI, LLM, LangGraph, Gibbs energy, Phase-field method, Jarzynski equality
刊行年月日
2026-12-31
更新時刻
2026-02-08 08:30:08 +0900
jpsj.93.123704.pdf
Stability of Correlated Insulating States in Molecular Conductors from First-Principles Calculation
ジャーナル論文
著者
Takao Tsumuraya (author) (この著者で検索)
ORCID ; ORCID SAMURAI ;
Hitoshi Seo (author) (この著者で検索)
キーワード
First-principles calculations, Density Functional Theory, Molecular Conductors, Strongly Correlated Systems
刊行年月日
2024-12-15
更新時刻
2024-11-21 16:30:38 +0900
IMFP IV AMS.pdf
Calculations of Electron Inelastic Mean Free Paths IV. Evaluation of calculated IMFPs and of the predictive IMFP formula TPP-2 for electron energies between 50 and 2000 eV
ジャーナル論文
著者
Tanuma, S. (author) (この著者で検索)
NIMS 技術開発・共用部門　運営室
ORCID SAMURAI ;
Powell, C. J. (author) (この著者で検索)
NIST
;
Penn, D. R. (author) (この著者で検索)
NIST
キーワード
IMFP, predictive IMFP formula TPP-2, Evaluations of TPP-2 formula
刊行年月日
2004-09-15
更新時刻
2023-11-07 15:36:26 +0900
PhysRevB.109.205151.pdf
Efficient calculation of unbiased atomic forces in ab initio variational Monte Carlo
ジャーナル論文
著者
Kousuke Nakano (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Michele Casula (author) (この著者で検索)
;
Giacomo Tenti (author) (この著者で検索)
キーワード
第一原理量子モンテカルロ法, 変分量子モンテカルロ法, 力の計算, 機械学習力場
刊行年月日
2024-05-28
更新時刻
2024-08-19 12:30:22 +0900
HasegawaK_JCSJ2022.pdf
Lattice deformation and phase transition of aluminum nitride studied by density functional theory calculations
ジャーナル論文
著者
Kota Hasegawa (author) (この著者で検索)
;
Takao Shimizu (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Naoki Ohashi (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI
キーワード
AlN, DFT, Strain, Stress, Ferrorlrctricity
刊行年月日
2022-07-01
更新時刻
2025-04-14 16:30:59 +0900
IMFP XIV preprint_rev.pdf
Calculations of Electron Inelastic Mean Free Paths (IMFPs). XIV. Calculated IMFPs for LiF and Si3N4 and Development of an Improved Predictive IMFP Formula
ジャーナル論文
著者
Jablonski, Aleksander (author) (この著者で検索)
Polish Academy of Sciences Institute of Physical Chemistry
;
Tanuma, Shigeo (author) (この著者で検索)
National Institute for Materials Science 技術開発・共用部門
ORCID SAMURAI ;
Powell, C. Cedric (author) (この著者で検索)
National Institute of Standards and Technology Associate, Materials Measurement Science Division
ORCID
キーワード
IMFP, electron inelastic mean free path, Improved Predictive IMFP Formula, JTP equation, TPP-2M
刊行年月日
2023-05-20
更新時刻
2024-01-05 22:13:23 +0900
1-s2.0-S0022309323005793-main.pdf
Large-scale DFT calculations of multi-component glass systems (SiO2)0.70(Al2O3)0.13(XO)0.17 (X = Mg, Ca, Sr, Ba) : Accuracy of classical force fields
ジャーナル論文
著者
Atsushi Tanaka (author) (この著者で検索)
;
Atsuki Saito (author) (この著者で検索)
;
Takashi Murata (author) (この著者で検索)
;
Ayako Nakata (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Tsuyoshi Miyazaki (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI
キーワード
Multi-component glass, First-principles calculations, Large-scale DFT, Classical force fields, Molecular dynamics simulations
刊行年月日
2023-11-25
更新時刻
2024-03-05 16:30:21 +0900