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E
Eok Kyun Lee
universite de lorraine
16
H指数
62
论文数
925
被引数
0
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18
发表时间
发表时间
IF
被引数
Ion Speciation and Mobility in Solid Polymer Electrolytes: Insights from Molecular Dynamics Simulations
固体聚合物电解质中的离子种类与迁移性:分子动力学模拟的见解
physical chemistry letters
IF
0
2025-07-07
0
PRE
AI
Jihye Park; Won June Kim; William A. Goddard III; Eok Kyun Lee; Hyungjun Kim
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PROFiT-Net: Property-Networking Deep Learning Model for Materials
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF
15.6
2024-09-12
1
PRE
AI
Kim, Se-Jun; Kim, Won June; Kim, Changho; Lee, Eok Kyun; Kim, Hyungjun
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MolNet_Equi: A Chemically Intuitive, Rotation-Equivariant Graph Neural Network
CHEMISTRY-AN ASIAN JOURNAL
IF
3.3
2023-11-22
0
PRE
AI
Kim, Jihoo; Jeong, Yoonho; Kim, Won June; Lee, Eok Kyun; Choi, Insung S.
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Understanding dynamics in coarse-grained models. III. Roles of rotational motion and translation-rotation coupling in coarse-grained dynamics
JOURNAL OF CHEMICAL PHYSICS
IF
3.1
2023-10-23
6
OA
AI
Jin, Jaehyeok; Lee, Eok Kyun; Voth, Gregory A.
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MolNet: A Chemically Intuitive Graph Neural Network for Prediction of Molecular Properties
MolNet: 用于预测分子特性的化学直观图形神经网络
CHEMISTRY-AN ASIAN JOURNAL
IF
3.3
2022-07-20
8
OA
AI
Kim, Yeji; Jeong, Yoonho; Kim, Jihoo; Lee, Eok Kyun; Kim, Won June; Choi, Insung S.
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Rotational Variance-Based Data Augmentation in 3D Graph Convolutional Network
CHEMISTRY-AN ASIAN JOURNAL
IF
3.3
2021-08-17
6
PRE
AI
Kim, Jihoo; Kim, Yeji; Lee, Eok Kyun; Chae, Chong Hak; Lee, Kwangho; Kim, Won June; Choi, Insung S.
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Layer-wise relevance propagation of InteractionNet explains protein-ligand interactions at the atom level
InteractionNet的逐层相关性传播解释了原子水平上的蛋白质-配体相互作用
SCIENTIFIC REPORTS
IF
3.9
2020-12-03
26
OA
AI
Cho, Hyeoncheol; Lee, Eok Kyun; Choi, Insung S.
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uMBD: A Materials-Ready Dispersion Correction That Uniformly Treats Metallic, Ionic, and van der Waals Bonding
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF
15.6
2020-01-10
38
PRE
AI
Kim, Minho; Kim, Won June; Gould, Timothy; Lee, Eok Kyun; Lebegue, Sebastien; Kim, Hyungjun
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Density-dependent finite system-size effects in equilibrium molecular dynamics estimation of shear viscosity: Hydrodynamic and configurational study
JOURNAL OF CHEMICAL PHYSICS
IF
3.1
2019-09-09
14
OA
AI
Kim, Kang-Sahn; Kim, Changho; Karniadakis, George Em; Lee, Eok Kyun; Kozak, John J.
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Electronic Structure and Band Alignments of Various Phases of Titania Using the Self-Consistent Hybrid Density Functional and DFT plus U Methods
使用自洽的混合密度泛函和DFT加U方法,二氧化钛各个相的电子结构和能带排列
FRONTIERS IN CHEMISTRY
IF
4.2
2019-02-07
11
OA
AI
Kim, Won June; Han, Myung Hoon; Lebegue, Sebastian; Lee, Eok Kyun; Kim, Hyungjun
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Nature of intrinsic uncertainties in equilibrium molecular dynamics estimation of shear viscosity for simple and complex fluids
JOURNAL OF CHEMICAL PHYSICS
IF
3.1
2018-07-31
32
OA
AI
Kim, Kang-Sahn; Han, Myung Hoon; Kim, Changho; Li, Zhen; Karniadakis, George Em; Lee, Eok Kyun
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First-Principles Studies on Twinnability of Magnesium Alloys: Effects of Yttrium and Lithium on Compression Twinning Deformation Processes
METALS AND MATERIALS INTERNATIONAL
IF
4
2018-03-15
8
PRE
AI
Kim, Won June; Han, Kyeong Hwan; Lee, Young Joo; Kim, Hyungjun; Lee, Eok Kyun
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Molecular hydrodynamics: Vortex formation and sound wave propagation
JOURNAL OF CHEMICAL PHYSICS
IF
3.1
2018-01-11
9
OA
AI
Han, Kyeong Hwan; Kim, Changho; Talkner, Peter; Karniadakis, George Em; Lee, Eok Kyun
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Tuned Chemical Bonding Ability of Au at Grain Boundaries for Enhanced Electrochemical CO2 Reduction
Au在晶界处的化学键合能力可增强电化学CO2还原
ACS CATALYSIS
IF
13.1
2016-06-13
110
PRE
AI
Kim, Kang-Sahn; Kim, Won June; Lim, Hyung-Kyu; Lee, Eok Kyun; Kim, Hyungjun
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Normal versus anomalous self-diffusion in two-dimensional fluids: Memory function approach and generalized asymptotic Einstein relation
JOURNAL OF CHEMICAL PHYSICS
IF
3.1
2014-12-04
12
OA
AI
Shin, Hyun Kyung; Choi, Bongsik; Talkner, Peter; Lee, Eok Kyun
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Thermodynamics of d-dimensional hard sphere fluids confined to micropores
JOURNAL OF CHEMICAL PHYSICS
IF
3.1
2011-03-15
10
OA
AI
Kim, Hyungjun; Goddard, William A., III; Han, Kyeong Hwan; Kim, Changho; Lee, Eok Kyun; Talkner, Peter; Haenggi, Peter
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Temperature-dependent free-electron susceptibility for one, two, and three dimensions
PHYSICAL REVIEW B
IF
3.7
1999-02-01
6
PRE
AI
Kim, JG; Choi, YHS; Lee, EK; Lee, S
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One-dimensional free-electron spin susceptibility at finite temperature
PHYSICAL REVIEW B
IF
3.7
1996-09-01
4
PRE
AI
Kim, JG; Lee, EK; Lee, S
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研究方向
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合作学者
合作期刊
W
William A. Goddard
H 指数: 184 · 论文数: 2.4K
G
George Em Karniadakis
H 指数: 130 · 论文数: 1.3K
G
Gregory A. Voth
H 指数: 114 · 论文数: 988
P
Peter Hänggi
H 指数: 99 · 论文数: 729
H
Hyungjun Kim
H 指数: 79 · 论文数: 493
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