| Year |
Citation |
Score |
| 2024 |
Park J, Kim WJ, Kim Y, Lee EK, Kim H. Threading Subunits for Polymers to Predict the Equilibrium Ensemble of Solid Polymer Electrolytes. The Journal of Physical Chemistry Letters. 1227-1233. PMID 38277277 DOI: 10.1021/acs.jpclett.3c03486 |
0.326 |
|
| 2021 |
Kim J, Kim Y, Lee EK, Chae CH, Lee K, Kim WJ, Choi IS. Rotational Variance-Based Data Augmentation in 3D Graph Convolutional Network. Chemistry, An Asian Journal. PMID 34369653 DOI: 10.1002/asia.202100789 |
0.307 |
|
| 2021 |
Kim SJ, Lebègue S, Kim H, Kim WJ. Assessment and prediction of band edge locations of nitrides using a self-consistent hybrid functional. The Journal of Chemical Physics. 155: 024120. PMID 34266276 DOI: 10.1063/5.0054589 |
0.382 |
|
| 2020 |
Kim M, Kim WJ, Gould T, Lee EK, Lebègue S, Kim H. uMBD: A Materials-Ready Dispersion Correction that Uniformly Treats Metallic, Ionic, and van der Waals Bonding. Journal of the American Chemical Society. PMID 31920085 DOI: 10.1021/Jacs.9B11589 |
0.385 |
|
| 2019 |
Han MH, Kim WJ, Lee EK, Kim H, Lebegue S, Kozak JJ. Theoretical study of the microscopic origin of magnetocrystalline anisotropy in Fe16N2 and its alloys: comparison with the other L10 alloys. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 31491781 DOI: 10.1088/1361-648X/Ab422C |
0.463 |
|
| 2019 |
Kim WJ, Han MH, Lebègue S, Lee EK, Kim H. Electronic Structure and Band Alignments of Various Phases of Titania Using the Self-Consistent Hybrid Density Functional and DFT+ Methods. Frontiers in Chemistry. 7: 47. PMID 30792978 DOI: 10.3389/Fchem.2019.00047 |
0.415 |
|
| 2018 |
Claudot J, Kim WJ, Dixit A, Kim H, Gould T, Rocca D, Lebègue S. Benchmarking several van der Waals dispersion approaches for the description of intermolecular interactions. The Journal of Chemical Physics. 148: 064112. PMID 29448790 DOI: 10.1063/1.5018818 |
0.372 |
|
| 2018 |
Kim WJ, Han KH, Lee YJ, Kim H, Lee EK. First-Principles Studies on Twinnability of Magnesium Alloys: Effects of Yttrium and Lithium on
$$\left( {10\bar{1}1} \right)\left[ {\bar{1}012} \right]$$
10
1
¯
1
1
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012
Compression Twinning Deformation Processes Metals and Materials International. 24: 720-729. DOI: 10.1007/S12540-018-0091-X |
0.325 |
|
| 2016 |
Kim WJ, Kim M, Lee EK, Lebègue S, Kim H. Failure of Density Functional Dispersion Correction in Metallic Systems and Its Possible Solution Using a Modified Many-Body Dispersion Correction. The Journal of Physical Chemistry Letters. PMID 27487413 DOI: 10.1021/Acs.Jpclett.6B00916 |
0.362 |
|
| 2016 |
Kim WJ, Han MH, Shin YH, Kim H, Lee EK. First-Principles Study of the α-β Phase Transition of Ferroelectric Poly(vinylidene difluoride): Observation of Multiple Transition Pathways. The Journal of Physical Chemistry. B. PMID 26937953 DOI: 10.1021/Acs.Jpcb.6B00881 |
0.489 |
|
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