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Kim, Woo Youn (김우연)
부교수, Department of Chemistry(화학과)

https://aceteamkaist.wixsite.com/home

Research Area
Physical Chemistry, Computational Chemistry, Chemical Informatics
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    NO Title, Author(s) (Publication Title, Volume Issue, Page, Issue Date)
    1
    Molecular Generative Model Based on an Adversarially Regularized Autoencoder

    Hong, Seung Hwan; Ryu, Seongok; Lim, Jaechang; et al, JOURNAL OF CHEMICAL INFORMATION AND MODELING, v.60, no.1, pp.29 - 36, 2020-01

    2
    Scaffold-based molecular design with a graph generative model

    Lim, Jaechang; Hwang, Sang-Yeon; Moon, Seokhyun; et al, CHEMICAL SCIENCE, v.11, no.4, pp.1153 - 1164, 2020-01

    3
    Homochiral Supramolecular Thin Film from Self-Assembly of Achiral Triarylamine Molecules by Circularly Polarized Light

    Park, Changjun; Lee, Jinhee; Kim, Taehyoung; et al, MOLECULES, v.25, no.2, 2020-01

    4
    A Bayesian graph convolutional network for reliable prediction of molecular properties with uncertainty quantification

    Ryu, Seongok; Kwon, Yongchan; Kim, Woo Younresearcher, CHEMICAL SCIENCE, v.10, no.36, pp.8438 - 8446, 2019-09

    5
    Predicting Drug-Target Interaction Using a Novel Graph Neural Network with 3D Structure-Embedded Graph Representation

    Lim, Jaechang; Ryu, Seongok; Park, Kyubyong; et al, JOURNAL OF CHEMICAL INFORMATION AND MODELING, v.59, no.9, pp.3981 - 3988, 2019-09

    6
    Single-crystalline Co2Si nanowires directly synthesized on silicon substrate for high-performance micro-supercapacitor

    Lee, Jiyoung; Yoo, Chung-Yul; Lee, Yeong A.; et al, CHEMICAL ENGINEERING JOURNAL, v.370, pp.973 - 979, 2019-08

    7
    Performance of ACE-Reaction on 26 Organic Reactions for Fully Automated Reaction Network Construction and Microkinetic Analysis

    Kim, Jin Woo; Kim, Yeonjoon; Baek, Kyung Yup; et al, JOURNAL OF PHYSICAL CHEMISTRY A, v.123, no.22, pp.4796 - 4805, 2019-06

    8
    Quantum transport properties of single-crystalline Ag2Se0.5Te0.5 nanowires as a new topological material

    Kim, Minjin; Kim, Jihwan; Lee, In-Ho; et al, NANOSCALE, v.11, no.12, pp.5171 - 5179, 2019-03

    9
    Study of Li Adsorption on Graphdiyne Using Hybrid DFT Calculations

    Kim, Jaewook; Kang, Sungwoo; Lim, Jaechang; et al, ACS APPLIED MATERIALS & INTERFACES, v.11, no.3, pp.2677 - 2683, 2019-01

    10
    Poly(amide-imide) materials for transparent and flexible displays

    Kim, Sun Dal; Lee, Byungyong; Byun, Taejoon; et al, SCIENCE ADVANCES, v.4, no.10, 2018-10

    11
    Kohn-Sham approach for fast hybrid density functional calculations in real-space numerical grid methods

    Kim, Jaewook; Kang, Sungwoo; Lim, Jaechang; et al, COMPUTER PHYSICS COMMUNICATIONS, v.230, pp.21 - 26, 2018-09

    12
    On the achievement of high fidelity and scalability for large-scale diagonalizations in grid-based DFT simulations

    Choi, Sunghwan; Kim, Woo Younresearcher; Yeom, Min Sun; et al, INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, v.118, no.16, 2018-08

    13
    Feasibility of Activation Energy Prediction of Gas-Phase Reactions by Machine Learning

    Choi, Sunghwan; Kim, Yeonjoon; Kim, Jin Woo; et al, CHEMISTRY-A EUROPEAN JOURNAL, v.24, no.47, pp.12354 - 12358, 2018-08

    14
    Molecular generative model based on conditional variational autoencoder for de novo molecular design

    Lim, Jaechang; Ryu, Seongok; Kim, Jin Woo; et al, JOURNAL OF CHEMINFORMATICS, v.10, 2018-07

    15
    Fragment-orbital tunneling currents and electronic couplings for analysis of molecular charge-transfer systems

    Hwang, Sang-Yeon; Kim, Jaewook; Kim, Woo Younresearcher, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.20, no.14, pp.9146 - 9156, 2018-04

    16
    Efficient structural elucidation of microhydrated biomolecules through the interrogation of hydrogen bond networks

    Kim, Yeonjoon; Kim, Jaewook; Baek, Kyung Yup; et al, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.20, no.12, pp.8185 - 8191, 2018-03

    17
    Efficient prediction of reaction paths through molecular graph and reaction network analysis

    Kim, Yeonjoon; Kim, Jin Woo; Kim, Zeehyo; et al, CHEMICAL SCIENCE, v.9, no.4, pp.825 - 835, 2018-01

    18
    Non-empirical atomistic dipole-interaction-model for quantum plasmon simulation of nanoparticles

    Lim, Jaechang; Kang, Sungwoo; Kim, Jaewook; et al, SCIENTIFIC REPORTS, v.7, 2017-11

    19
    Effects of the locality of a potential derived from hybrid density functionals on Kohn-Sham orbitals and excited states

    Kim, Jaewook; Hong, Kwang-Woo; Hwang, Sang-Yeon; et al, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.19, no.15, pp.10177 - 10186, 2017-04

    20
    Outstanding performance of configuration interaction singles and doubles using exact exchange Kohn-Sham orbitals in real-space numerical grid method

    Lim, Jaechang; Choi, Sunghwan; Kim, Jaewook; et al, JOURNAL OF CHEMICAL PHYSICS, v.145, no.22, 2016-12
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