Talks
2024
[16] Revealing the charge density wave caused by Peierls instability in two-dimensional NbSe2
Invited talk at the 2024 Chemistry National Meeting (化學年會), Taiwan (March 30). [ Link ]
[15] First-Principles Simulations of Optical Properties of Nanomaterials
Invited talk in the Dept. of Optoelectronics and Materials Technology at the National Taiwan Ocean University, Taiwan (國立海洋大學, March 20).
2023
[14] First-principles calculations in chemistry and material sciences
Invited talk in the Department of Chemistry at Tamkang University, Taiwan (December 14).
[13] Ab-initio simulations for optical properties of materials and molecular adsorption on surface
Invited talk at National Taipei University of Technology, Taiwan (國立臺北科技大學, May 11).
[12] Solid state optical properties by first-principles electronic structure calculations
Invited talk at National Taipei University of Technology, Taiwan (國立臺北科技大學, March 14).
2022
[11] Structural characterizations of the charge-density-wave material 2H-NbSe2
Invited talks in
(1) the 20th Workshop on First-Principles Computational Materials Physics in the National Center for Theoretical Sciences on the campus of National Sun Yat-sen University, Taiwan (中山大學物理系, Sept. 1-2).
(2) Dept. of Physics at Tamkang University, Taiwan (淡江大學物理系, Sept. 20).
[10] Ab-initio molecular dynamics study of molecular dissociative adsorption on surface
Invited talk in the Department of Chemical and Materials Engineering at Tamkang University, Taiwan (淡江大學化學工程與材料工程學系, June 6).
2021
[9] Simulations of optical properties of materials
Invited talk at National Cheng Kung University (Guang-Fu Campus) in Tainan, Taiwan (成大國際會議廳, April 23) [ Schedule ]
2020
[8] Decomposing optical transition weight via first-principles band unfolding methods for impurity materials using atomic basis function
Invited talk in the Department of Physics at Tamkang University, Taiwan (淡江大學物理系, April 14)
2019
[7] Unfolding optical properties for large-scale LCAO electronic structure calculations
Invited talk in the Department of Chemistry at Tamkang University, Taiwan (淡江大學化學系, May 6)
[6] Exploring key components of optical properties by analyzing partial conductivity and permittivity in a band structure
Annual meeting of the Physical Society of Japan (Spring) held at Ito Campus in Kyushu University, Japan (九州大学 伊都キャンパス, Mar. 14-17)
2018
[5] Implementation of electric conductivity, dielectric function, and relevant optical properties for a large-scale system in OpenMX
The 3rd OpenMX developer's meeting in the Institute for Solid State Physics, the University of Tokyo, Kashiwa, Chiba, Japan. (東京大学物性研究所, July 9-10)
2016
[4] Implementation of phonon dispersion with LO-TO splitting for polar materials [ pdf ]
The 2nd OpenMX developer's meeting at E6-2, Department of Physics, Korea Advanced Institute of Science and Technology, Daejeon, Korea. (韓國科學技術院物理系, Nov. 23-25)
2015
[3] Developing phonon dispersion code for simulated Raman spectra by using finite-difference method [ pdf ]
The 1st OpenMX developer's meeting at R501 on the fifth floor of Advanced Institute for Computational Science (計算科学研究機構), Kobe, Japan. (Dec. 21-22)
2014
[2] Reaction dynamics of methanol dissociative adsorption onto Si(001) surface and its time-resolved vibrational spectra unveiled by ab-initio molecular dynamics and wavelet transform analysis
The 13th workshop on First-Principles Computational Materials Physics on YoHo Beach Resort, Pingtung county, Taiwan. (Feb. 7-9)
2013
[1] Ab-initio molecular dynamics study of ethylene adsorption onto Si(001) surface: short-time Fourier transform of structural auto-correlation function
Theoretical and Computational Chemistry Association in Taiwan held in the Department of Chemistry at National Taiwan University (國立台灣大學化學系, Sept. 5)
Posters
2025
[11] Reveals Phonon Instabilities and Charge Density Waves Formation in VSe2
2025 Taiwan-Japan Workshop on Crystal Growth, Analysis and Calculation (TJ-CGAC), Yilan, Taiwan. (May 7-9)
Z.-H. Li, Y.-T. Lee, P.-T. Chen, J.-Y. Wu, C.-N. Kuo, C.-S. Lue, C.-T. Wu, C.-C. Kuo, C.-T. Chiang, C.-L. Lin, C.-C. Lee, H.-C. Hsueh, M.-C. Chung
[10] A computational study of electron-hole couplings of twisted bilayer graphene in moiré superlattices
2025 Annual Meeting of the Physical Society of Taiwan, Kaohsiung, Taiwan. (Jan. 14)
Yung-Ting Lee*
2020
[9] Unfolding optical transition weights of impurity materials for first-principles LCAO electronic structure calculations
IAMS Young Fellow Research Presentation at Dr. Poe Lecture Hall, IAMS, Academia Sinica, Taiwan. (Nov. 23-24) [ Link ]
Yung-Ting Lee*, Chi-Cheng Lee, Masahiro Fukuda, Taisuke Ozaki
2019
[8] Dielectric properties of polymers above GHz range: First-principles and molecular dynamics calculations
Computational Sciences Workshop 2019 (CSW2019) at the Kokusai Fashion Center Hall, Ryogoku, Tokyo, Japan. (January 16-18)
Shunsuke Chikada, Shin'ichi Higai, Yung-Ting Lee, Taisuke Ozaki, Takashi Miyake
2018
[7] Exploring key components of optical properties by analyzing partial conductivity and permittivity in a band structure
“TIAかけはし”ポスター交流会2018「-計算と計測のデータ同化による革新的物質材料解析手法の調査-」(Survey on innovative analysis methods of materials by data assimilation of simulations and experimental measurements), 東京大学柏の葉キャンパス駅前サテライト (The University of Tokyo Kashiwanoha Campus Station Satellite). (December 3) [ Link ]
Yung-Ting Lee*, Taisuke Ozaki
[6] Implementation of electric conductivity, dielectric function, and relevant optical properties for a large-scale system in OpenMX
The International Summer workshop 2018 on First-Principles Electronic Structure Calculations, ISSP, Kashiwa Campus, The University of Tokyo. (東京大学物性研究所, July 2-12) [ Link ]
Yung-Ting Lee*, Masahiro Fukuda, Chi-Cheng Lee, Taisuke Ozaki
[5] OpenMX Viewer - a web-based crystalline and molecular graphical user interface program
(1) 物性研究所スパコン共同利用・CCMS合同研究会「計算物質科学の今と未来」(Japan). (April 2~3) [ Link ]
(2) 日本物理学会2018年秋季大会（物性）・同志社大学（京田辺キャンパス）(Japan). (Sept. 9~12) [ Link ]
Yung-Ting Lee*, Taisuke Ozaki
2016
[4] Implementation of phonon dispersion with LO-TO splitting and acoustic sum rules in OpenMX for studying polar materials
19th Asian Workshop on First-Principles: Electronic Structure Calculations held at National Chiao Tung University, Hsinchu, Taiwan. (台灣國立交通大學, Oct. 31-Nov. 2) [ Link ]
Yung-Ting Lee, Chi-Cheng Lee, Myung Joon Han, Taisuke Ozaki
[3] Developing phonon dispersion code with acoustic sum rules and interface between OpenMX and BoltzTraP for studying thermoelectric materials
Korea Physics Society conference held in Daejeon Convention Center, Republic of Korea. (韓國大田, April 20-22)
Yung-Ting Lee, Siheon Ryee, Chi-Cheng Lee, Myung Joon Han, Taisuke Ozaki
2015
[2] Methanol dissociative adsorption onto Si(001) surface unveiled by ab-initio molecular dynamics and wavelet transform analysis
The 18th Asian workshop on First-principles Electronic Structures Calculations in Institute for Solid State Physics, University of Tokyo, Japan. (東京大学物性研究所, Nov. 9-11) [ Link ]
Yung Ting Lee, Jyh Shing Lin
2013
[1] Ab-initio molecular dynamics study of ethylene adsorption on Si(001) surface: short-time Fourier transform approach
The 6th Worldwide Chinese Theoretical and Computational Chemistry Conference in Tamkang University, Taiwan. (June)
Yung Ting Lee, Jyh Shing Lin