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H

Hiromi Nakai

Waseda University

55H指数
540论文数
1.2W被引数
收录论文 197
发表时间
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Accurate Solution-Phase Thermodynamics via Composite Quantum Chemistry and Machine Learning: Application to Biomass Decomposition通过组合量子化学和机器学习实现精确溶液相热力学：在生物质分解中的应用
errJournal of Computational Chemistry
IF4.8
err2026-08-31
err0
errOAAI
errMikito Fujinami; Akihiko Okubo; Shuhei Ogo; Ayumu Onda; Hiromi Nakai
err分享
err收藏
Scalable Quantum-Classical Hybrid Algorithm for Excited States Based on Divide-and-Conquer Unitary Coupled-Cluster Linear-Response Theory Using Dynamical Polarizability基于动态极化率的分治幺正耦合簇线性响应理论的激发态可扩展量子-经典混合算法
errThe Journal of Physical Chemistry A
IF2.8
err2026-06-30
err0
PREAI
errTakeshi Yoshikawa; Tomoya Takanashi; Hiromi Nakai
err分享
err收藏
Geometry Optimization for Nonlocal Excited State Using the Divide-and-Conquer Method利用分治法对非局域激发态进行几何优化
errJournal of Chemical Theory and Computation
IF5.5
err2026-05-12
err0
PREAI
errRyusei Nishimura; Takeshi Yoshikawa; Ken Sakata; Hiromi Nakai
err分享
err收藏
Accuracy of advanced neural network potential for reaction thermodynamics of small biomass molecules先进神经网络势能对小生物量分子反应热力学计算的准确性
errChemistry Letters
IF1.1
err2026-05-01
err0
PREAI
errFujinami, Mikito; Nakai, Hiromi
err分享
err收藏
Insights into proton transfer dynamics in histidine tautomers of amyloid-β (1-40)关于阿尔茨海默病β淀粉样蛋白(1-40)组氨酸互变异构体中质子转移动力学的研究
errCommunications Chemistry
IF6.2
err2025-12-11
err0
errOAAI
errYingqi Tang; Yoshifumi Nishimura; Nannan Li; Hai Li; Abbas Salimi; Kensuke Ishida; Aditya Wibawa Sakti; Hiromi Nakai; Rakesh Parida; Jin Yong Lee
err分享
err收藏
Investigation of Li-Ion Hopping in Ionic-Liquid-Incorporated Methyl Cellulose/Carboxymethyl Cellulose Solid Polymer Electrolyte: A Molecular Simulation InsightLi-Ion Hopping在含离子液体的甲基纤维素/羧甲基纤维素固态聚合物电解质中的研究：分子模拟洞察
errThe Journal of Physical Chemistry B
IF2.9
err2025-10-27
err0
PREAI
errKensuke Ishida; Aditya Wibawa Sakti; Sun Theo Constan Lotebulo Ndruru; Hiromi Nakai
err分享
err收藏
Extension of quantum-chemistry-based accelerated molecular dynamics by decomposing total energy into constituent atoms: A case study for density functional tight-binding simulations of condensed phase systems基于量子化学的加速分子动力学方法的扩展：通过将总能量分解为构成原子——关于凝聚相系统密度泛函紧束缚模拟的案例研究
errChemical Physics Letters
IF3.1
err2025-10-13
err0
PREAI
errYoshifumi Nishimura; Hiromi Nakai
err分享
err收藏
Enhancing chemoselectivity via strong metal-support interaction: selective hydrogenation of 4-chloronitrobenzene over Pd/TiO2 catalysts通过强金属载体相互作用增强化学选择性：在Pd/TiO2催化剂上选择性加氢4-氯硝基苯
errapplied catalysis a general
IF0
err2025-09-03
err0
errOAAI
errHiromu Akiyama; Koki Saegusa; Hiroshi Sampei; Takuma Higo; Kyogo Maeda; Toshiyuki Watanabe; Shigeru Kado; Hiromi Nakai; Yasushi Sekine
err分享
err收藏
Extension of Composite Method and Machine-Learned Electron Correlation Model to Fourth-Period Elements复合方法与机器学习电子关联模型的拓展至第四周期元素
errJournal of Computational Chemistry
IF4.8
err2025-07-29
err0
PREAI
errRyo Fujisawa; Mikito Fujinami; Hiromi Nakai
err分享
err收藏
Large-Scale Calculations by Integrating the Fragmentation Approach With Neural Network Potentials通过结合碎片化方法和神经网络势能的大规模计算
errJournal of Computational Chemistry
IF4.8
err2025-07-24
err0
PREAI
errRei Oshima; Mikito Fujinami; Yuya Nakajima; Hiromi Nakai
err分享
err收藏
Parallelization of Two-Electron Integrals in Spin-Free Infinite-Order Two-Component Hamiltonian
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-03-01
err0
PREAI
errTakashima, Chinami; Nakai, Hiromi
err分享
err收藏
Direct Givens rotation method based on error back-propagation algorithm for self-consistent field solution
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-01-02
err0
PREAI
errOshima, Rei; Nakai, Hiromi
err分享
err收藏
Application and integration of computer vision technologies for automated recognition and recording of chemical experiments
errBULLETIN OF THE CHEMICAL SOCIETY OF JAPAN
IF3.8
err2024-10-23
err0
errOAAI
errSasaki, Ryosuke; Fujinami, Mikito; Nakai, Hiromi
err分享
err收藏
Excitation configuration analysis for divide-and-conquer excited-state calculation method using dynamical polarizability
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-06-24
err2
PREAI
errNishimura, Ryusei; Yoshikawa, Takeshi; Sakata, Ken; Nakai, Hiromi
err分享
err收藏
Range Separation Method for Density Functional Theory Based on Two-Electron Infinite-Order Two-Component Hamiltonian
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-01-09
err0
PREAI
errTakashima, Chinami; Nakai, Hiromi
err分享
err收藏
Factors governing the protonation of Keggin-type polyoxometalates: influence of the core structure in clusters
errDALTON TRANSACTIONS
IF3.3
err2024-01-01
err1
errOAAI
errSampei, Hiroshi; Akiyama, Hiromu; Saegusa, Koki; Yamaguchi, Masahiro; Ogo, Shuhei; Nakai, Hiromi; Ueda, Tadaharu; Sekine, Yasushi
err分享
err收藏
Application of object detection and action recognition toward automated recognition of chemical experiments
errDIGITAL DISCOVERY
IF5.6
err2024-01-01
err3
errOAAI
errSasaki, Ryosuke; Fujinami, Mikito; Nakai, Hiromi
err分享
err收藏
Fabrication of solid polymer electrolyte based on carboxymethyl cellulose complexed with lithium acetate salt as Lithium-ion battery separator羧甲基纤维素络合醋酸锂作为锂离子电池隔膜的固体聚合物电解质的制备
errPOLYMER COMPOSITES
IF4.7
err2023-12-04
err6
PREAI
errDarmawan, Dhea Afrisa; Yulianti, Evi; Sabrina, Qolby; Ishida, Kensuke; Sakti, Aditya Wibawa; Nakai, Hiromi; Pramono, Edi; Ndruru, Sun Theo Constan Lotebulo
err分享
err收藏
Quantum mechanical assessment on the optical properties of capsanthin conformers
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2023-08-07
err1
PREAI
errPutro, Permono Adi; Sakti, Aditya Wibawa; Ahmad, Faozan; Nakai, Hiromi; Alatas, Husin
err分享
err收藏
Neutral-to-ionic photoinduced phase transition of tetrathiafulvalene-p-chloranil by electronic and vibrational excitation: A real-time nuclear-electronic dynamics simulation study
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-08-01
err1
PREAI
errHanada, Tatsuki; Uratani, Hiroki; Nakai, Hiromi
err分享
err收藏

研究方向

暂时未获取到该数据
合作学者
合作期刊
Y
YamauchiYusuke (Yusuke Yamauchi)
H 指数: 169 · 论文数: 1.6K
C
Chihaya Adachi
H 指数: 138 · 论文数: 1.3K
R
Roberto M. Lang
H 指数: 109 · 论文数: 1.2K
N
Naoto Chatani
H 指数: 105 · 论文数: 783
R
Robert A. Levine
H 指数: 95 · 论文数: 686
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