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날짜 2022-10-28 11:00 
일시 Oct. 28 (Fri), 11:00AM 
장소 E6-2 #1323 
연사 김수란(경북대 물리교육과 교수) 
세미나 영상은 아래 링크로 확인 바랍니다. (공개기한: 2023.10.27까지)
 
o 일시: 2022. 10. 28(금)  11:00
o 장소: E6-2 Room 1323
o Zoom Link: https://kaist.zoom.us/j/83127228653  회의 ID:  831 2722 8653
 
o 연사: 김수란 교수(경북대학교 물리교육과)
o 강연주제: Machine-Learning-Guided Prediction Models and Materials discovery for high Tc Cuprates
Abstract
Cuprates have been at the center of long debate regarding their superconducting mechanism; therefore, predicting the critical temperatures of cuprates remains elusive. We demonstrate herein, using ab initio computations, a new trend suggesting that the cuprates with stronger out-of-CuO2-plane chemical bonding between the apical anion (O, Cl) and apical cation (e.g., La, Hg, Bi, Tl) are generally correlated with higher Tc;max in experiments. Also, using machine learning, we predict the maximum superconducting transition temperature (Tc,max) of hole-doped cuprates and suggest the functional form for Tc,max with the root-mean-square-error of 3.705 K and R2 of 0.969. We have found that the Bader charge of apical oxygen, the bond strength between apical atoms, and the number of superconducting layers are essential to estimate Tc,max. Furthermore, we predict the Tc,max of hypothetical cuprates generated by replacing apical cations with other elements. Among the hypothetical structures, the cuprates with Ga show the highest predicted Tc,max values, which are 71, 117, and 131 K for one, two, and three CuO2 layers, respectively. These findings suggest that machine learning could guide the design of new high-Tc superconductors in the future.
Attached: C.V
 
Inquiry: Prof. Se Kwon Kim(sekwonkim@kaist.ac.kr) / Prof. Hee Jun Yang (h.yang@kaist.ac.kr)
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424 2017-04-28 14:30  E6-2. 1st fl. #1323  Hot electron generation at surfaces and its impact to catalysis and renewable energy conversion
423 2015-12-11 15:45  E6-2, #1323  Dynamical mean field theory studies on heavy fermion system
422 2023-10-19 11:00  E6-2 #1322  Emergent functionalities of iridium oxide films with different growth orientation file
421 2023-06-26 11:00  E6, Rm#1323  Quantum computing on magnetic racetracks with flying domain wall qubits
420 2019-04-19 11:00  #1323, E6-2  First-principles studies of semiconductors for solar cell applications file
419 2021-06-11 14:30  Online seminar  Engineering sound waves and vibrations in multi-mode nanomechanical systems file
418 2019-09-27 16:00  E6-2. 1st fl. #1323  0D/1D/2D/3D III-V materials grown by MBE for Optelectronics file
417 2018-03-16 14:30  E6-2. 1st fl. #1323  산화물 다층박막에서의 다양한 물리현상 file
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415 2016-12-8 16:00  #1323(E6-2. 1st fl.)  Dynamical Resonance between Two Optical Cavities via Optomechanical Oscillator
414 2023-05-22 13:00  E6-6 119  Design & Development of Electrochemical Biosensors for the Detection of T2DM Biomarkers
413 2017-03-02 16:00  #1323(E6-2. 1st fl.)  “Progress in the comparison of ARPES to DMFT for d and f strongly correlated electron systems”
412 2019-12-03 16:00  #1323, E6-2  Toward Quantum Materials with Correlated Oxides file
411 2016-04-01 16:15  E6-2. 1st fl. #1501  Cotunneling drag effect in Coulomb-coupled quantum dots
410 2015-08-03 10:30  E6-2, #1323 (Seminar Room)  Axion Search
409 2016-11-04 13:30  E6-2. #1323(1st fl.)  Exotic phenomena at oxide LaAlO3/SrTiO3 hetero-interface and their applications
408 2018-10-19 10:00  #1323, E6-2  Energy conversion processes during magnetic reconnection in a laboratory plasma file
407 2018-12-07 16:00  E6-2. 1st fl. #1323  Novel probes of interacting electrons in 2D systems file
406 2019-09-27 14:30  E6-2. 1st fl. #1323  Spin-charge conversion in topological insulators for spintronic applications file