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Lee, Geunsik (이근식)

Department
Department of Chemistry(화학과)
Website
https://sites.google.com/view/gslee2017/home
Lab
Computational Research on Electronic Structure and Transport in Condensed Materials (응집물질 전자구조 및 전자전도 연구실)
Research Keywords
open quantum system, electron correlation, dynamical mean field theory, 2D materials, non-equilibrium electron transport, magnetic ordering, strongly correlated system, water splitting, perovskite solar cell
Research Interests
Physical and chemical properties of materials are governed by electromagnetic interaction between charged species. Particles heavier than few-nucleon can be easily described by classical equations of motion. However, electrons require a special treatment because of their uncertainty in exhibiting quantitative properties. The most prevailing theory in last one century has been the quantum mechanics where distribution of electrons is probabilistically given by a squared wave function. Once we know the distribution of electrons or the initial wave function, all the microscopic behavior later on, in principle, can be predicted by using the Schrodinger equation of motion and quantum statistical mechanics. But, practically, it is still challenging to describe system of many particles interacting among themselves, namely the complex system, where only qualitative behavior has been known with simplified models. For reliable and quantitative description of physical and chemical properties of materials, we need high-performance computation power together with numerical approaches solving quantum mechanics. By using various state-of-the-art numerical methods, our group is mainly oriented to studying novel phenomena of nanoscale systems, related to next-generation electronic/spintronic/optical devices and high-efficient energy/environment catalysts. In addition, we develop a numerical code to describe strongly correlated systems in non-equilibrium steady-state situation.
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Issue DateTitleAuthor(s)TypeViewAltmetrics
2009-04Electronic structures of zigzag graphene nanoribbons with edge hydrogenation and oxidationLee, Geunsik; Cho, KyeongjaeARTICLE629 Electronic structures of zigzag graphene nanoribbons with edge hydrogenation and oxidation
2008-05Self-trapping nature of Tl nanoclusters on the Si(111)-7 x 7 surfaceHwang, C. G.; Kim, N. D.; Lee, Geunsik, et alARTICLE559 Self-trapping nature of Tl nanoclusters on the Si(111)-7 x 7 surface
2008-04Ab initio studies of structural and electronic properties of the crystalline Ge(2)Sb(2)Te(5)Lee, Geunsik; Jhi, Seung-HoonARTICLE516 Ab initio studies of structural and electronic properties of the crystalline Ge(2)Sb(2)Te(5)
2007-12Ab initio study of thallium nanoclusters on Si(111)-7x7Lee, Geunsik; Hwang, Choon Gyu; Kim, Nam Dong, et alARTICLE609 Ab initio study of thallium nanoclusters on Si(111)-7x7
2007-11Origin of unusual work function change upon forming Tl nanoclusters on Si(111)-7x7 surfaceHwang, C. G.; Kim, N. D.; Lee, Geunsik, et alARTICLE613 Origin of unusual work function change upon forming Tl nanoclusters on Si(111)-7x7 surface
2007-07Adsorption energies of Al, Ga, In, Tl on Si(111)-7x7Lee, Geunsik; Kim, Jai SamARTICLE604 Adsorption energies of Al, Ga, In, Tl on Si(111)-7x7
2006-09Ab initio P-T phase diagram of NaBH4Lee, Geunsik; Lee, Jin-Yang; Kim, Jai SamARTICLE834 Ab initio P-T phase diagram of NaBH4
2006-02Electronic structure and optical absorption spectra of CdSe covered with ZnSe and ZnS epilayersYun, So Jeong; Lee, Geunsik; Kim, Jai Sam, et alARTICLE577 Electronic structure and optical absorption spectra of CdSe covered with ZnSe and ZnS epilayers
2004-01Theoretical study of the electronic structure and hydrogen adsorption properties in B2-TiFe thin films with Pd coatingKim, J.S.; Oh, S.Y.; Lee, Geunsik, et alARTICLE595 Theoretical study of the electronic structure and hydrogen adsorption properties in B2-TiFe thin films with Pd coating
2003-04Numerical verification of topological crossings in band structure of solidsLee, Geunsik; Kim, Jai Sam; Zak, JARTICLE648 Numerical verification of topological crossings in band structure of solids
2002-09The electronic properties of FeCo, Ni3Mn and Ni3Fe at the order-disorder transitionKulkova, S.E.; Valujsky, D.V.; Kim, J.S., et alARTICLE589 The electronic properties of FeCo, Ni3Mn and Ni3Fe at the order-disorder transition
2002-04The adsorption of hydrogen on B2TiFe surfacesLee, Geunsik; Kim, J.S.; Koo, Y.M., et alARTICLE555 The adsorption of hydrogen on B2TiFe surfaces
2002-02Surface electronic structure of Ti-based transition metal alloysKulkova, SE; Valujsky, DV; Kim, JS, et alARTICLE537 Surface electronic structure of Ti-based transition metal alloys
2001-09Optical properties of TiNi, TiCo and TiFe thin filmsKulkova, S.E.; Valujsky, D.V.; Kim, J.S., et alARTICLE609 Optical properties of TiNi, TiCo and TiFe thin films
2001-08Electronic structure of binary and ternary Ti-based shape-memory alloysKulkova, S.E.; Valujsky, D.V.; Kim, J.S., et alARTICLE549 Electronic structure of binary and ternary Ti-based shape-memory alloys

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