Kim J - Search Results

1

Configuration interaction singles based on the real-space numerical grid method: Kohn-Sham versus Hartree-Fock orbitals.

Kim J, Hong K, Choi S, Hwang SY, Youn Kim W. Kim J, et al. Phys Chem Chem Phys. 2015 Dec 21;17(47):31434-43. doi: 10.1039/c5cp00352k. Phys Chem Chem Phys. 2015. PMID: 25869540

2

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

3

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

4

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

5

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

6

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

7

Fragment-orbital tunneling currents and electronic couplings for analysis of molecular charge-transfer systems.

Hwang SY, Kim J, Kim WY. Hwang SY, et al. Among authors: kim wy, kim j. Phys Chem Chem Phys. 2018 Apr 4;20(14):9146-9156. doi: 10.1039/C8CP00266E. Phys Chem Chem Phys. 2018. PMID: 29560997

8

ACE-Molecule: An open-source real-space quantum chemistry package.

Kang S, Woo J, Kim J, Kim H, Kim Y, Lim J, Choi S, Kim WY. Kang S, et al. Among authors: kim h, kim wy, kim j, kim y. J Chem Phys. 2020 Mar 31;152(12):124110. doi: 10.1063/5.0002959. J Chem Phys. 2020. PMID: 32241122

9

Holistic Approach to the Mechanism Study of Thermal Degradation of Organic Light-Emitting Diode Materials.

Kim JW, Kim J, Kim J, Chwae J, Kang S, Jeon SO, Son WJ, Choi H, Choi B, Kim S, Kim WY. Kim JW, et al. Among authors: kim wy, kim s, kim j. J Phys Chem A. 2020 Nov 19;124(46):9589-9596. doi: 10.1021/acs.jpca.0c07766. Epub 2020 Nov 10. J Phys Chem A. 2020. PMID: 33170694

10

Study of Li Adsorption on Graphdiyne Using Hybrid DFT Calculations.

Kim J, Kang S, Lim J, Kim WY. Kim J, et al. Among authors: kim wy. ACS Appl Mater Interfaces. 2019 Jan 23;11(3):2677-2683. doi: 10.1021/acsami.8b03482. Epub 2018 May 10. ACS Appl Mater Interfaces. 2019. PMID: 29745641

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