Jae-Hoon SIM
Post Doctoral Fellow
Research group: Condensed Matter
Research interests:
One of my research goals is to describe and understand the strongly correlated materials, such as transition metal oxides or rare-earth compound, within the fully ab-initio method. Most of these materials contain localized d or f electrons with strong Coulomb interactions. Beyond density functional theory (DFT) methods are essential to account for electron-electron correlations of the localized orbitals correctly. One of the successful approaches to study strongly correlated electron systems is the dynamical mean-field theory (DMFT) combined with the DFT. Throughout my Ph.D. studies, I have pursued to improve first-principles-based methods by developing new techniques [1-4] and its implementation [5-6]. For example, I have implemented DFT+DMFT based on the non-orthogonal pseudo-atomic orbital basis DFT code [5]. Now I am working on the strong correlation effect in rare-earth magnets.
Publication list:
[1] Analytic continuation via domain knowledge free machine learning Hongkee Yoon, Jae-Hoon Sim, and Myung Joon Han Phys. Rev. B 98, 245101 (2018); arXiv:1806.03841
[2] Maximum Quantum Entropy Method Jae-Hoon Sim and Myung Joon Han Phys. Rev. B 98, 205102 (2018); arXiv:1804.01683
[3] Quantified degeneracy and metal-insulator transition in complex transition-metal oxides Jae-Hoon Sim, Siheon Ryee, Hunpyo Lee, Myung Joon Han Phys. Rev. B 98, 165114 (2018); arXiv:1810.00502
[4] Calculating branching ratio and spin-orbit coupling from first-principles: A formalism and its application to iridates Jae-Hoon Sim, Hongkee Yoon, Sang Hyeon Park, and Myung Joon Han Phys. Rev. B 94, 115149 (2016)
[5] Density functional theory plus dynamics mean-field theory with natural atomic orbital projectors Jae-Hoon Sim and Myung Joon Han Phys. Rev. B 100, 115151 (2019)
[6] Jx : An open-source software for calculating magnetic interactions based on magnetic force theory Hongkee Yoon, Taek Jung Kim, Jae-Hoon Sim, and Myung Joon Han Comp. Phys. Comm. 106927 (2019)
Link to full publication list: https://sites.google.com/site/jhsim4279/home/list-of-publications
PhD Thesis: Thesis: “Development and application of first-principles-based methods for correlated electron materials with strong spin-orbit coupling” supervised by Prof. Myung Joon Han, KAIST (2018)
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Phone number | +33(0) 1 69 33 42 92 |
Address | CPHT, Ecole Polytechnique, 91128 Palaiseau cedex, France |
Office | 'Aile 0', office 1011 |