About me
I got my Ph.D. from Yonsei University in Korea and am a postdoctoral researcher in Kieron's group. My project is making hand-drip coffee and, if I have spare time, developing a density-corrected DFT.
I got my Ph.D. from Yonsei University in Korea and am a postdoctoral researcher in Kieron's group. My project is making hand-drip coffee and, if I have spare time, developing a density-corrected DFT.
[229] | DC-DFT for Open Shells: How to Deal with Spin Contamination , (2023). |
[225] | Extending density functional theory with near chemical accuracy beyond pure water , Nature Communications 14, 799 (2023). |
[224] | Seven Useful Questions in Density Functional Theory , Letters in Mathematical Physics 113, 42 (2023). |
[218] | Improving Results by Improving Densities: Density-Corrected Density Functional Theory , Journal of the American Chemical Society 144, 6625-6639 (2022). |
[213] | Density-Corrected DFT Explained: Questions and Answers , Journal of Chemical Theory and Computation 18, 817-827 (2022). |
[208] | Density Sensitivity of Empirical Functionals , The Journal of Physical Chemistry Letters 12, 800-807 (2021). (PMID: 33411542) |
[198] | Measuring Density-Driven Errors Using Kohn–Sham Inversion , Journal of Chemical Theory and Computation 16, 5014-5023 (2020). (PMID: 32667787) |
[194] | Density Functional Analysis: The Theory of Density-Corrected DFT , Journal of Chemical Theory and Computation 15, 6636-6646 (2019). (PMID: 31682433) |
[191] | Halogen and Chalcogen Binding Dominated by Density-Driven Errors , The Journal of Physical Chemistry Letters 10, 295-301 (2019). |
[189] | Quantifying Density Errors in DFT , The Journal of Physical Chemistry Letters 9, 6385-6392 (2018). (PMID: 30335392) |
[180] | Benchmarks and Reliable DFT Results for Spin Gaps of Small Ligand Fe(II) Complexes , Journal of Chemical Theory and Computation 14, 2304-2311 (2018). (PMID: 29614856) |