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Kim, Woo Youn (김우연)
교수, (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
    Gaussian-Approximated Poisson Preconditioner for Iterative Diagonalization in Real-Space Density Functional Theory

    Woo, Jeheon; Kim, Seonghwan; Kim, Woo Younresearcher, JOURNAL OF PHYSICAL CHEMISTRY A, v.127, no.17, pp.3883 - 3893, 2023-05

    2
    Dynamic Precision Approach for Accelerating Large-Scale Eigenvalue Solvers in Electronic Structure Calculations on Graphics Processing Units

    Woo, Jeheon; Kim, Seonghwan; Kim, Woo Younresearcher, JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v.19, no.5, pp.1457 - 1465, 2023-03

    3
    Molecular Generative Model via Retrosynthetically Prepared Chemical Building Block Assembly

    Seo, Seonghwan; Lim, Jaechang; Kim, Woo Younresearcher, ADVANCED SCIENCE, v.10, no.8, 2023-03

    4
    Neural network-based pseudopotential: development of a transferable local pseudopotential

    Woo, Jeheon; Kim, Hyeonsu; Kim, Woo Younresearcher, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.24, no.34, pp.20094 - 20103, 2022-08

    5
    System-Specific Separable Basis Based on Tucker Decomposition:Application to Density Functional Calculations

    Woo, Jeheon; Kim, Woo Younresearcher; Choi, Sunghwan, JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v.18, no.5, pp.2875 - 2884, 2022-05

    6
    Effect of molecular representation on deep learning performance for prediction of molecular electronic properties

    Kim, Jun Hyeong; Kim, Hyeonsu; Kim, Woo Younresearcher, BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.43, no.5, pp.645 - 649, 2022-05

    7
    PIGNet: a physics-informed deep learning model toward generalized drug-target interaction predictions

    Moon, Seokhyun; Zhung, Wonho; Yang, Soojung; et al, CHEMICAL SCIENCE, v.13, no.13, pp.3661 - 3673, 2022-04

    8
    Circularly Polarized Light Can Override and Amplify Asymmetry in Supramolecular Helices

    Kang, Jun Su; Kang, Sungwoo; Suh, Jong-Min; et al, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.144, no.6, pp.2657 - 2666, 2022-02

    9
    Drug-likeness scoring based on unsupervised learning

    Lee, Kyunghoon; Jang, Jinho; Seo, Seonghwan; et al, CHEMICAL SCIENCE, v.13, no.2, pp.554 - 565, 2022-01

    10
    Morphology Transformation of Foldamer Assemblies Triggered by Single Oxygen Atom on Critical Residue Switch

    Oh, Byung-Chang; Yoon, Eunyoung; Gong, Jintaek; et al, SMALL, v.17, no.36, 2021-09

    11
    Thiazole-Linked Covalent Organic Framework Promoting Fast Two-Electron Transfer for Lithium-Organic Batteries

    Singh, Vikram; Kim, Jaewook; Kang, Bora; et al, ADVANCED ENERGY MATERIALS, v.11, no.17, 2021-05

    12
    Reversible disorder-order transitions in atomic crystal nucleation

    Jeon, Sungho; Heo, Taeyeong; Hwang, Sang-Yeon; et al, SCIENCE, v.371, no.6528, pp.498 - +, 2021-01

    13
    Holistic Approach to the Mechanism Study of Thermal Degradation of Organic Light-Emitting Diode Materials

    Kim, Jin Woo; Kim, Joonghyuk; Kim, Jaewook; et al, JOURNAL OF PHYSICAL CHEMISTRY A, v.124, no.46, pp.9589 - 9596, 2020-11

    14
    Efficient Construction of a Chemical Reaction Network Guided By a Monte Carlo Tree Search

    Lee, Kyunghoon; Kim, Jin Woo; Kim, Woo Younresearcher, ChemSystemsChem, v.2, no.5, pp.e1900057, 2020-09

    15
    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

    16
    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

    17
    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

    18
    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

    19
    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

    20
    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
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