Kim WJ - Search Results

1

Lifshitz Transition and Non-Fermi Liquid Behavior in Highly Doped Semimetals.

Kang K, Kim WJ, Kim D, Kim S, Ji B, Keum DH, Cho S, Kim YM, Lebègue S, Yang H. Kang K, et al. Among authors: kim wj, kim ym, kim d, kim s. Adv Mater. 2021 Jan;33(1):e2005742. doi: 10.1002/adma.202005742. Epub 2020 Nov 25. Adv Mater. 2021. PMID: 33241603

2

Failure of Density Functional Dispersion Correction in Metallic Systems and Its Possible Solution Using a Modified Many-Body Dispersion Correction.

Kim WJ, Kim M, Lee EK, Lebègue S, Kim H. Kim WJ, et al. Among authors: kim h, kim m. J Phys Chem Lett. 2016 Aug 18;7(16):3278-83. doi: 10.1021/acs.jpclett.6b00916. Epub 2016 Aug 9. J Phys Chem Lett. 2016. PMID: 27487413

3

Benchmarking several van der Waals dispersion approaches for the description of intermolecular interactions.

Claudot J, Kim WJ, Dixit A, Kim H, Gould T, Rocca D, Lebègue S. Claudot J, et al. Among authors: kim h, kim wj. J Chem Phys. 2018 Feb 14;148(6):064112. doi: 10.1063/1.5018818. J Chem Phys. 2018. PMID: 29448790 Free article.

4

Electronic Structure and Band Alignments of Various Phases of Titania Using the Self-Consistent Hybrid Density Functional and DFT+U Methods.

Kim WJ, Han MH, Lebègue S, Lee EK, Kim H. Kim WJ, et al. Among authors: kim h. Front Chem. 2019 Feb 7;7:47. doi: 10.3389/fchem.2019.00047. eCollection 2019. Front Chem. 2019. PMID: 30792978 Free PMC article.

5

Benchmarking the performance of approximate van der Waals methods for the structural and energetic properties of SiO₂ and AlPO₄ frameworks.

Fischer M, Kim WJ, Badawi M, Lebègue S. Fischer M, et al. Among authors: kim wj. J Chem Phys. 2019 Mar 7;150(9):094102. doi: 10.1063/1.5085394. J Chem Phys. 2019. PMID: 30849891

6

Theoretical study of the microscopic origin of magnetocrystalline anisotropy in Fe₁₆N₂ and its alloys: comparison with the other L1₀ alloys.

Han MH, Kim WJ, Lee EK, Kim H, Lebègue S, Kozak JJ. Han MH, et al. Among authors: kim h, kim wj. J Phys Condens Matter. 2020 Jan 16;32(3):035801. doi: 10.1088/1361-648X/ab422c. Epub 2019 Sep 6. J Phys Condens Matter. 2020. PMID: 31491781

7

uMBD: A Materials-Ready Dispersion Correction That Uniformly Treats Metallic, Ionic, and van der Waals Bonding.

Kim M, Kim WJ, Gould T, Lee EK, Lebègue S, Kim H. Kim M, et al. Among authors: kim h, kim wj. J Am Chem Soc. 2020 Feb 5;142(5):2346-2354. doi: 10.1021/jacs.9b11589. Epub 2020 Jan 24. J Am Chem Soc. 2020. PMID: 31920085

8

Adsorption mechanisms of fatty acids on fluorite unraveled by infrared spectroscopy and first-principles calculations.

Foucaud Y, Lainé J, Filippov LO, Barrès O, Kim WJ, Filippova IV, Pastore M, Lebègue S, Badawi M. Foucaud Y, et al. Among authors: kim wj. J Colloid Interface Sci. 2021 Feb 1;583:692-703. doi: 10.1016/j.jcis.2020.09.062. Epub 2020 Sep 23. J Colloid Interface Sci. 2021. PMID: 33039866

9

Assessment and prediction of band edge locations of nitrides using a self-consistent hybrid functional.

Kim SJ, Lebègue S, Kim H, Kim WJ. Kim SJ, et al. Among authors: kim h, kim wj. J Chem Phys. 2021 Jul 14;155(2):024120. doi: 10.1063/5.0054589. J Chem Phys. 2021. PMID: 34266276

10

Tuning the 1D-2D dimensionality upon ligand exchange in silver thiolate coordination polymers with photoemission switching.

Hawila S, Massuyeau F, Gautier R, Fateeva A, Lebègue S, Kim WJ, Ledoux G, Mesbah A, Demessence A. Hawila S, et al. Among authors: kim wj. J Mater Chem B. 2023 May 10;11(18):3979-3984. doi: 10.1039/d3tb00537b. J Mater Chem B. 2023. PMID: 37078201

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