Python suites for high-throughput calculations of the ab-initio quantum Monte Carlo methods
- データセット
- 著者
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NAKANO, Kosuke (author) (この著者で検索)National Institute for Materials Science (NIMS) Center for Basic Research on Materials
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;Oto Kohulák (author) (この著者で検索)International School for Advanced Studies (SISSA);Abhishek Raghav (author) (この著者で検索)International School for Advanced Studies (SISSA);Michele Casula (author) (この著者で検索)Sorbonne Université Institut de Minéralogie, de Physique des Matériaux et de Cosmochimie (IMPMC)Sandro Sorella (author) (この著者で検索)International School for Advanced Studies (SISSA) - キーワード
- Ab initio Quantum Monte Carlo, High-throughput calculations, TurboRVB, TurboGenius
- 刊行年月日
- 更新時刻
- 2023-11-15 15:38:36 +0900
Free Analysis and Visualization Programs for Electrochemical Impedance Spectroscopy Coded in Python
- ジャーナル論文
- 著者
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KOBAYASHI, Kiyoshi (author) (この著者で検索)
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SUZUKI, Tohru S. (author) (この著者で検索)
- キーワード
- model fitting, free software, electrochemical impedance, data visualization
- 刊行年月日
- 2021-03-05
- 更新時刻
- 2024-01-05 22:11:18 +0900
Preprocessing Method for Spectra Interpreted by the Power Law Using Segment Regression
- ジャーナル論文
- 著者
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Shinjiro Yagyu (author) (この著者で検索)
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Michiko Yoshitake (author) (この著者で検索)
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Takahiro Nagata (author) (この著者で検索)
- キーワード
- Photoelectron Yield Spectroscopy:, segment regression, Power Law
- 刊行年月日
- 2024-11-26
- 更新時刻
- 2024-12-04 14:52:47 +0900
Surface-Structure Search with Variable Composition and Periodicity via Machine Learning and Evolutionary Algorithms: Applications to Pt/Ge Oxidation and Au--Sn Alloying
- ジャーナル論文
- 著者
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;F. Kuroda (author) (この著者で検索)National Institute of Advanced Industrial Science and Technology (AIST) a Materials DX Research CenterM. Otani (author) (この著者で検索)
- キーワード
- Sections, lists, figures, tables, mathematics, fonts, references, appendices
- 刊行年月日
- 2026-07-07
- 更新時刻
- 2026-07-08 16:54:06 +0900
Automatic Threshold Prediction of Photoelectron Yield Spectroscopy (PYS) by Machine Learning
- ジャーナル論文
- 著者
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YAGYU, Shinjiro (author) (この著者で検索)
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;YOSHITAKE, Michiko (author) (この著者で検索)CHIKYOW, Toyohiro (author) (この著者で検索)
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NAGATA, Takahiro (author) (この著者で検索)
- キーワード
- threshold, machine learning, photoelectron yield spectroscopy
- 刊行年月日
- 2020-06-10
- 更新時刻
- 2024-01-05 22:12:44 +0900
A data-driven elucidation of the challenges in designing stable quinone derivatives for aqueous organic redox flow batteries: correlations between thermodynamics of chemical degradation and energy capacity metrics
- ジャーナル論文
- 著者
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;Ning Lu (author) (この著者で検索)RWTH Aachen University a MODES, the Integrated Fuel & Chemical Science Centre;Shiyao Ju (author) (この著者で検索);Daniel Willimetz (author) (この著者で検索);Shengming Tang (author) (この著者で検索)Abhishek Khetan (author) (この著者で検索)
- キーワード
- Aqueous organic redox flow batteries, quinone stability, degradation, molecular design, high-throughput screening, durability, grid-scale energy storage
- 刊行年月日
- 2026-07-16
- 更新時刻
- 2026-07-17 13:28:23 +0900
Characterization and evaluation of the ability of graphene quantum dots to affect α-synuclein aggregation in synucleinopathy models
- ジャーナル論文
- 著者
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;Tuba Oz (author) (この著者で検索)Poznan University of Medical Sciences a Department of Toxicology;Anna Alwani (author) (この著者で検索);Agnieszka Kamińska (author) (この著者で検索);Barbara Jachimska (author) (この著者で検索);Makoto Timmon Tanaka (author) (この著者で検索);Yasuo Miki (author) (この著者で検索);Koichi Wakabayashi (author) (この著者で検索);Katarzyna Maziarz (author) (この著者で検索);Sheetal Kaushik Bhardwaj (author) (この著者で検索);Ajeet Kaushik (author) (この著者で検索);Małgorzata Figiel (author) (この著者で検索);Piotr Chmielarz (author) (この著者で検索)Małgorzata Kujawska (author) (この著者で検索)
- キーワード
- Graphene quantum dots, bioactive nanomaterials, Nano–bio interactions, amyloid inhibition, nanotoxicology, cytocompatibility, nano–bio interface
- 刊行年月日
- 2026-12-31
- 更新時刻
- 2026-05-21 11:41:20 +0900
Machine learning prediction of Young's modulus in multi component titanium based biomedical alloys using extended thermodynamic descriptors
- ジャーナル論文
- 著者
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;Hassan Ahmad (author) (この著者で検索)Pakistan Institute of Engineering and Applied Sciences (PIEAS) Department of Metallurgy and Materials Engineering;Muhammad Haider (author) (この著者で検索);Zafar Iqbal (author) (この著者で検索);Muhammad Zarif (author) (この著者で検索)Syed Mujtaba Ul Hassan (author) (この著者で検索)
- キーワード
- Titanium alloys, machine learning, biomedical alloys, Young’s modulus prediction
- 刊行年月日
- 2026-12-31
- 更新時刻
- 2026-07-08 16:58:38 +0900
Phonon Anomaly and Local Distortion in Iron-Manganese-Based Elinvar Alloys
- ジャーナル論文
- 著者
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;Yoshihiko Umemoto (author) (この著者で検索)Tohoku University Institute for Materials Research;Yoichi Ikeda (author) (この著者で検索);Takashi Honda (author) (この著者で検索);Daisuke Ishikawa (author) (この著者で検索);John A. Schneeloch (author) (この著者で検索);Jörg C. Neuefeind (author) (この著者で検索);Shinichiro Tozawa (author) (この著者で検索);Rie Umetsu (author) (この著者で検索);Despina Louca (author) (この著者で検索);Alfred Q.R. Baron (author) (この著者で検索)Masaki Fujita (author) (この著者で検索)
- キーワード
- Iron-manganese based alloy, Elinvar, martensitic transformation, phonon softening, local distortion
- 刊行年月日
- 2025-12-31
- 更新時刻
- 2025-08-06 08:30:28 +0900
Anti-freezing supercapacitors using novel choline phosphate aqueous electrolytes
- ジャーナル論文
- 著者
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;Jan Malczak (author) (この著者で検索)Poznań University of Technology a Faculty of Chemical Technology;Seyed Amirhossein Sanei (author) (この著者で検索);Agnieszka Marcinkowska (author) (この著者で検索);Piotr Gajewski (author) (この著者で検索)Qamar Abbas (author) (この著者で検索)
- キーワード
- Choline phosphate, Anti-freezing electrolyte, carbon electrode, electric double-layer, Supercapacitor
- 刊行年月日
- 2026-06-19
- 更新時刻
- 2026-06-24 11:55:20 +0900