Kim WY - Search Results

1

Supersampling method for efficient grid-based electronic structure calculations.

Ryu S, Choi S, Hong K, Kim WY. Ryu S, et al. Among authors: kim wy. J Chem Phys. 2016 Mar 7;144(9):094101. doi: 10.1063/1.4942925. J Chem Phys. 2016. PMID: 26957151

2

Composition-controlled PtCo alloy nanocubes with tuned electrocatalytic activity for oxygen reduction.

Choi SI, Lee SU, Kim WY, Choi R, Hong K, Nam KM, Han SW, Park JT. Choi SI, et al. Among authors: kim wy. ACS Appl Mater Interfaces. 2012 Nov;4(11):6228-34. doi: 10.1021/am301824w. Epub 2012 Nov 6. ACS Appl Mater Interfaces. 2012. PMID: 23106417

3

Fano-resonance-driven spin-valve effect using single-molecule magnets.

Hong K, Kim WY. Hong K, et al. Among authors: kim wy. Angew Chem Int Ed Engl. 2013 Mar 18;52(12):3389-93. doi: 10.1002/anie.201208816. Epub 2013 Feb 18. Angew Chem Int Ed Engl. 2013. PMID: 23420754 No abstract available.

4

Accuracy of Lagrange-sinc functions as a basis set for electronic structure calculations of atoms and molecules.

Choi S, Hong K, Kim J, Kim WY. Choi S, et al. Among authors: kim wy, kim j. J Chem Phys. 2015 Mar 7;142(9):094116. doi: 10.1063/1.4913569. J Chem Phys. 2015. PMID: 25747070

5

Efficient Basin-Hopping Sampling of Reaction Intermediates through Molecular Fragmentation and Graph Theory.

Kim Y, Choi S, Kim WY. Kim Y, et al. Among authors: kim wy. J Chem Theory Comput. 2014 Jun 10;10(6):2419-26. doi: 10.1021/ct500136x. Epub 2014 May 22. J Chem Theory Comput. 2014. PMID: 26580762

6

Performance of heterogeneous computing with graphics processing unit and many integrated core for hartree potential calculations on a numerical grid.

Choi S, Kwon OK, Kim J, Kim WY. Choi S, et al. Among authors: kim wy, kim j. J Comput Chem. 2016 Sep 15;37(24):2193-201. doi: 10.1002/jcc.24443. Epub 2016 Jul 19. J Comput Chem. 2016. PMID: 27431905

7

Outstanding performance of configuration interaction singles and doubles using exact exchange Kohn-Sham orbitals in real-space numerical grid method.

Lim J, Choi S, Kim J, Kim WY. Lim J, et al. Among authors: kim wy, kim j. J Chem Phys. 2016 Dec 14;145(22):224309. doi: 10.1063/1.4971786. J Chem Phys. 2016. PMID: 27984905

8

Effects of the locality of a potential derived from hybrid density functionals on Kohn-Sham orbitals and excited states.

Kim J, Hong K, Hwang SY, Ryu S, Choi S, Kim WY. Kim J, et al. Among authors: kim wy. Phys Chem Chem Phys. 2017 Apr 12;19(15):10177-10186. doi: 10.1039/c7cp00704c. Phys Chem Chem Phys. 2017. PMID: 28374031

9

Feasibility of Activation Energy Prediction of Gas-Phase Reactions by Machine Learning.

Choi S, Kim Y, Kim JW, Kim Z, Kim WY. Choi S, et al. Among authors: kim wy, kim z, kim y, kim jw. Chemistry. 2018 Aug 22;24(47):12354-12358. doi: 10.1002/chem.201800345. Epub 2018 Apr 24. Chemistry. 2018. PMID: 29473970

10

Efficient structural elucidation of microhydrated biomolecules through the interrogation of hydrogen bond networks.

Kim Y, Kim J, Baek KY, Kim WY. Kim Y, et al. Among authors: kim wy, kim j. Phys Chem Chem Phys. 2018 Mar 28;20(12):8185-8191. doi: 10.1039/c7cp08372f. Epub 2018 Mar 9. Phys Chem Chem Phys. 2018. PMID: 29521390

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