Akihide Hayashi - Publications, H-index & Citations

Akihide Hayashi

Shiga University

10H指数

30论文数

588被引数

收录论文 11

发表时间

Ready-to-Use Polymerization Simulations Combining Universal Machine Learning Interatomic Potential with Time-Dependent Bond Boosting for Polymer and Interface Design 基于通用机器学习原子间势能与时间依赖键增强的即用型聚合模拟，用于聚合物及界面设计

Journal of Physical Chemistry B

IF2.9

2026-02-01

PREAI

Mori, Hodaka; Tonogai, Shunsuke; Miyazaki, Yu; Hayashi, Akihide; Takayanagi, Masayoshi

Generative Model for Constructing Reaction Path from Initial to Final States 构建从初始状态到最终状态的反应路径的生成模型

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2025-01-18

PREAI

Hayashi, Akihide; Takamoto, So; Li, Ju; Tsuboi, Yuta; Okanohara, Daisuke

Towards universal neural network potential for material discovery applicable to arbitrary combination of 45 elements 走向适用于45个元素的任意组合的材料发现的通用神经网络潜力

NATURE COMMUNICATIONS

IF15.7

2022-05-30

154

OAAI

Takamoto, So; Shinagawa, Chikashi; Motoki, Daisuke; Nakago, Kosuke; Li, Wenwen; Kurata, Iori; Watanabe, Taku; Yayama, Yoshihiro; Iriguchi, Hiroki; Asano, Yusuke; Onodera, Tasuku; Ishii, Takafumi; Kudo, Takao; Ono, Hideki; Sawada, Ryohto; Ishitani, Ryuichiro; Ong, Marc; Yamaguchi, Taiki; Kataoka, Toshiki; Hayashi, Akihide; Charoenphakdee, Nontawat; Ibuka, Takeshi

Theoretical Investigation of the Heterojunction Effect on the Catalytic Activity and Selectivity of an Au@NiO Core-Shell Catalyst in Aerobic Oxidation

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2020-07-06

PREAI

Hayashi, Akihide; Ato, Yoshinori; Tada, Kohei; Koga, Hiroaki; Kawakami, Takashi; Yamanaka, Shusuke; Okumura, Mitsutaka

Facile NO-CO elimination over zirconia-coated Cu(110) surfaces: Further evidence from DFT plus U calculations

APPLIED SURFACE SCIENCE

IF6.9

2020-04-01

PREAI

Koga, Hiroaki; Hayashi, Akihide; Ato, Yoshinori; Tada, Kohei; Hosokawa, Saburo; Tanaka, Tsunehiro; Okumura, Mitsutaka

Effect of ceria and zirconia supports on NO reduction over platinum-group metal catalysts: A DFT study with comparative experiments 二氧化铈和氧化锆载体对铂族金属催化剂上NO还原的影响: 具有比较实验的DFT研究

CATALYSIS TODAY

IF5.3

2019-07-01

PREAI

Koga, Hiroaki; Hayashi, Akihide; Ato, Yoshinori; Tada, Kohei; Hosokawa, Saburo; Tanaka, Tsunehiro; Okumura, Mitsutaka

Theoretical investigation of the effect of phosphate doping on the aggregation of Au atoms on an Al2O3 (0001) surface

APPLIED SURFACE SCIENCE

IF6.9

2019-01-01

PREAI

Tada, Kohei; Koga, Hiroaki; Sakurai, Hiroaki; Tanaka, Shingo; Ato, Yoshinori; Hayashi, Akihide; Kawakami, Takashi; Yamanaka, Shusuke; Okumura, Mitsutaka

Theoretical Study of Correlations Between the Coordination Structures and Catalytic Activities in Polymer-Stabilized Au Nanocluster Catalysts

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2018-11-19

OAAI

Ato, Yoshinori; Hayashi, Akihide; Koga, Hiroaki; Tada, Kohei; Kawakami, Takashi; Yamanaka, Shusuke; Okumura, Mitsutaka

Effects of halogens on interactions between a reduced TiO2 (110) surface and noble metal atoms: A DFT study

APPLIED SURFACE SCIENCE

IF6.9

2017-07-01

PREAI

Tada, Kohei; Koga, Hiroaki; Hayashi, Akihide; Kondo, Yudai; Kawakami, Takashi; Yamanaka, Shusuke; Okumura, Mitsutaka

Theoretical Clarification of the Coexistence of Cl Effects on Au/TiO2: The Interaction between Au Clusters and the TiO2 Surface, and the Aggregation of Au Clusters on the TiO2 Surface

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN

IF3.8

2017-02-09

PREAI

Tada, Kohei; Koga, Hiroaki; Hayashi, Akihide; Kondo, Yudai; Kawakami, Takashi; Yamanaka, Shusuke; Okumura, Mitsutaka

Advances in polymer-stabilized Au nano-cluster catalysis : Interplay of theoretical calculations and experiments

Chinese Journal of Catalysis

IF17.7

2016-10-01

OAAI

Koga, Hiroaki; Sakata, Kohei; Ato, Yoshinori; Hayashi, Akihide; Tada, Kohei; Okumura, Mitsutaka

研究方向