Woo Youn Kim

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 45

Top Topics

Density Functional Theory

Top Venues

Journal of chemical information and modeling

Nature communications

The journal of physical chemistry. A

Chemical science

This page only lists publications with an associated author ORCID identifier.

Publications

Seonghwan Kim, Jeheon Woo, Woo Youn Kim
Diffusion-based generative AI for exploring transition states from 2D molecular graphs. Nature communications 15 (1) (2024)
Hyeonsu Kim, Kyunghoon Lee, Jun Hyeong Kim, Woo Youn Kim
Deep Learning-Based Chemical Similarity for Accelerated Organic Light-Emitting Diode Materials Discovery. Journal of chemical information and modeling 64 (3) (2024)
Wonho Zhung, Hyeongwoo Kim, Woo Youn Kim
3D molecular generative framework for interaction-guided drug design. Nature communications 15 (1) (2024)
Wonho Zhung, Hyeongwoo Kim, Woo Youn Kim
3D molecular generative framework for interaction-guided drug design. Nature communications 15 (1) (2024)
Seonghwan Kim, Jeheon Woo, Woo Youn Kim
Diffusion-based generative AI for exploring transition states from 2D molecular graphs. Nature communications 15 (1) (2024)
Hyeonsu Kim, Kyunghoon Lee, Jun Hyeong Kim, Woo Youn Kim
Deep Learning-Based Chemical Similarity for Accelerated Organic Light-Emitting Diode Materials Discovery. Journal of chemical information and modeling 64 (3) (2024)
Jeheon Woo, Woo Youn Kim, Sunghwan Choi
Efficient Shift-and-Invert Preconditioning for Multi-GPU Accelerated Density Functional Calculations. Journal of chemical theory and computation (2024)
Wonho Zhung, Hyeongwoo Kim, Woo Youn Kim
3D molecular generative framework for interaction-guided drug design. Nature communications 15 (1) (2024)
Seonghwan Kim, Jeheon Woo, Woo Youn Kim
Diffusion-based generative AI for exploring transition states from 2D molecular graphs. Nature communications 15 (1) (2024)
Hyeonsu Kim, Kyunghoon Lee, Jun Hyeong Kim, Woo Youn Kim
Deep Learning-Based Chemical Similarity for Accelerated Organic Light-Emitting Diode Materials Discovery. Journal of chemical information and modeling 64 (3) (2024)
Hyeonsu Kim, Kyunghoon Lee, Jun Hyeong Kim, Woo Youn Kim
Deep Learning-Based Chemical Similarity for Accelerated Organic Light-Emitting Diode Materials Discovery. Journal of chemical information and modeling (2024)
Hyeonsu Kim, Kyunghoon Lee, Jun Hyeong Kim, Woo Youn Kim
Deep Learning-Based Chemical Similarity for Accelerated Organic Light-Emitting Diode Materials Discovery. Journal of chemical information and modeling 64 (3) (2024)
Seoin Back, Alán Aspuru-Guzik, Michele Ceriotti, Ganna Gryn'ova, Bartosz A Grzybowski, Geun Ho Gu, Jason E Hein, Kedar Hippalgaonkar, Rodrigo Hormázabal, Yousung Jung, Seonah Kim, Woo Youn Kim, Seyed Mohamad Moosavi, Juhwan Noh, Changyoung Park, Joshua Schrier, Philippe Schwaller, Koji Tsuda, Tejs Vegge, O Anatole von Lilienfeld, Aron Walsh
Accelerated chemical science with AI. Digital discovery 3 (1) (2023)
Jeheon Woo, Seonghwan Kim, Woo Youn Kim
Gaussian-Approximated Poisson Preconditioner for Iterative Diagonalization in Real-Space Density Functional Theory. The journal of physical chemistry. A 127 (17) (2023)
Jaewook Kim, Joonghyuk Kim, Yongjun Kim, Youngmok Son, Youngsik Shin, Hye Jin Bae, Ji Whan Kim, Sungho Nam, Yongsik Jung, Hyeonsu Kim, Sungwoo Kang, Yoonsoo Jung, Kyunghoon Lee, Hyeonho Choi, Woo Youn Kim
Critical role of electrons in the short lifetime of blue OLEDs. Nature communications 14 (1) (2023)
Hyeongwoo Kim, Kyunghoon Lee, Chansu Kim, Jaechang Lim, Woo Youn Kim
DFRscore: Deep Learning-Based Scoring of Synthetic Complexity with Drug-Focused Retrosynthetic Analysis for High-Throughput Virtual Screening. Journal of chemical information and modeling (2023)
Seoin Back, Alán Aspuru-Guzik, Michele Ceriotti, Ganna Gryn'ova, Bartosz A Grzybowski, Geun Ho Gu, Jason E Hein, Kedar Hippalgaonkar, Rodrigo Hormázabal, Yousung Jung, Seonah Kim, Woo Youn Kim, Seyed Mohamad Moosavi, Juhwan Noh, Changyoung Park, Joshua Schrier, Philippe Schwaller, Koji Tsuda, Tejs Vegge, O Anatole von Lilienfeld, Aron Walsh
Accelerated chemical science with AI. Digital discovery 3 (1) (2023)
Jeheon Woo, Seonghwan Kim, Woo Youn Kim
Dynamic Precision Approach for Accelerating Large-Scale Eigenvalue Solvers in Electronic Structure Calculations on Graphics Processing Units. Journal of chemical theory and computation (2023)
Jeheon Woo, Seonghwan Kim, Woo Youn Kim
Gaussian-Approximated Poisson Preconditioner for Iterative Diagonalization in Real-Space Density Functional Theory. The journal of physical chemistry. A (2023)
Seonghwan Seo, Jaechang Lim, Woo Youn Kim
Molecular Generative Model via Retrosynthetically Prepared Chemical Building Block Assembly. Advanced science (Weinheim, Baden-Wurttemberg, Germany) (2023)
Jeheon Woo, Seonghwan Kim, Woo Youn Kim
Gaussian-Approximated Poisson Preconditioner for Iterative Diagonalization in Real-Space Density Functional Theory. The journal of physical chemistry. A (2023)
Jeheon Woo, Seonghwan Kim, Woo Youn Kim
Gaussian-Approximated Poisson Preconditioner for Iterative Diagonalization in Real-Space Density Functional Theory. The journal of physical chemistry. A (2023)
Seonghwan Seo, Jaechang Lim, Woo Youn Kim
Molecular Generative Model via Retrosynthetically Prepared Chemical Building Block Assembly. Advanced science (Weinheim, Baden-Wurttemberg, Germany) 10 (8) (2023)
Seonghwan Seo, Jaechang Lim, Woo Youn Kim
Molecular Generative Model via Retrosynthetically Prepared Chemical Building Block Assembly. Advanced science (Weinheim, Baden-Wurttemberg, Germany) 10 (8) (2023)
Jeheon Woo, Seonghwan Kim, Woo Youn Kim
Dynamic Precision Approach for Accelerating Large-Scale Eigenvalue Solvers in Electronic Structure Calculations on Graphics Processing Units. Journal of chemical theory and computation 19 (5) (2023)
Seonghwan Seo, Jaechang Lim, Woo Youn Kim
Molecular Generative Model via Retrosynthetically Prepared Chemical Building Block Assembly. Advanced science (Weinheim, Baden-Wurttemberg, Germany) 10 (8) (2023)
Seokhyun Moon, Wonho Zhung, Soojung Yang, Jaechang Lim, Woo Youn Kim
PIGNet: a physics-informed deep learning model toward generalized drug-target interaction predictions. Chemical science 13 (13) (2022)
Jeheon Woo, Woo Youn Kim, Sunghwan Choi
System-Specific Separable Basis Based on Tucker Decomposition: Application to Density Functional Calculations. Journal of chemical theory and computation 18 (5) (2022)
Jeheon Woo, Hyeonsu Kim, Woo Youn Kim
Neural network-based pseudopotential: development of a transferable local pseudopotential. Physical chemistry chemical physics : PCCP 24 (34) (2022)
Jun Su Kang, Sungwoo Kang, Jong-Min Suh, Soon Mo Park, Dong Ki Yoon, Mi Hee Lim, Woo Youn Kim, Myungeun Seo
Circularly Polarized Light Can Override and Amplify Asymmetry in Supramolecular Helices. Journal of the American Chemical Society 144 (6) (2022)
Kyunghoon Lee, Jinho Jang, Seonghwan Seo, Jaechang Lim, Woo Youn Kim
Drug-likeness scoring based on unsupervised learning. Chemical science 13 (2) (2021)
Sungho Jeon, Taeyeong Heo, Sang-Yeon Hwang, Jim Ciston, Karen C Bustillo, Bryan W Reed, Jimin Ham, Sungsu Kang, Sungin Kim, Joowon Lim, Kitaek Lim, Ji Soo Kim, Min-Ho Kang, Ruth S Bloom, Sukjoon Hong, Kwanpyo Kim, Alex Zettl, Woo Youn Kim, Peter Ercius, Jungwon Park, Won Chul Lee
Reversible disorder-order transitions in atomic crystal nucleation. Science (New York, N.Y.) 371 (6528) (2021)
Jin Woo Kim, Joonghyuk Kim, Jaewook Kim, Jun Chwae, Sungwoo Kang, Soon Ok Jeon, Won-Joon Son, Hyeonho Choi, Byoungki Choi, Sunghan Kim, Woo Youn Kim
Holistic Approach to the Mechanism Study of Thermal Degradation of Organic Light-Emitting Diode Materials. The journal of physical chemistry. A 124 (46) (2020)
Seung Hwan Hong, Seongok Ryu, Jaechang Lim, Woo Youn Kim
Molecular Generative Model Based on an Adversarially Regularized Autoencoder. Journal of chemical information and modeling 60 (1) (2019)
Jin Woo Kim, Yeonjoon Kim, Kyung Yup Baek, Kyunghoon Lee, Woo Youn Kim
Performance of ACE-Reaction on 26 Organic Reactions for Fully Automated Reaction Network Construction and Microkinetic Analysis. The journal of physical chemistry. A 123 (22) (2019)
Jaechang Lim, Sang-Yeon Hwang, Seokhyun Moon, Seungsu Kim, Woo Youn Kim
Scaffold-based molecular design with a graph generative model. Chemical science 11 (4) (2019)
Seongok Ryu, Yongchan Kwon, Woo Youn Kim
A Bayesian graph convolutional network for reliable prediction of molecular properties with uncertainty quantification. Chemical science 10 (36) (2019)
Jaechang Lim, Seongok Ryu, Kyubyong Park, Yo Joong Choe, Jiyeon Ham, Woo Youn Kim
Predicting Drug-Target Interaction Using a Novel Graph Neural Network with 3D Structure-Embedded Graph Representation. Journal of chemical information and modeling 59 (9) (2019)
Yeonjoon Kim, Jaewook Kim, Kyung Yup Baek, Woo Youn Kim
Efficient structural elucidation of microhydrated biomolecules through the interrogation of hydrogen bond networks. Physical chemistry chemical physics : PCCP 20 (12) (2018)
Jaechang Lim, Seongok Ryu, Jin Woo Kim, Woo Youn Kim
Molecular generative model based on conditional variational autoencoder for de novo molecular design. Journal of cheminformatics 10 (1) (2018)
Sun Dal Kim, Byungyong Lee, Taejoon Byun, Im Sik Chung, Jongmin Park, Isaac Shin, Nam Young Ahn, Myungeun Seo, Yunho Lee, Yeonjoon Kim, Woo Youn Kim, Hyukyun Kwon, Hanul Moon, Seunghyup Yoo, Sang Youl Kim
Poly(amide-imide) materials for transparent and flexible displays. Science advances 4 (10) (2018)
Sunghwan Choi, Yeonjoon Kim, Jin Woo Kim, Zeehyo Kim, Woo Youn Kim
Feasibility of Activation Energy Prediction of Gas-Phase Reactions by Machine Learning. Chemistry (Weinheim an der Bergstrasse, Germany) 24 (47) (2018)
Jaewook Kim, Sungwoo Kang, Jaechang Lim, Woo Youn Kim
Study of Li Adsorption on Graphdiyne Using Hybrid DFT Calculations. ACS applied materials & interfaces 11 (3) (2018)
Sang-Yeon Hwang, Jaewook Kim, Woo Youn Kim
Fragment-orbital tunneling currents and electronic couplings for analysis of molecular charge-transfer systems. Physical chemistry chemical physics : PCCP 20 (14) (2018)
Yeonjoon Kim, Jin Woo Kim, Zeehyo Kim, Woo Youn Kim
Efficient prediction of reaction paths through molecular graph and reaction network analysis. Chemical science 9 (4) (2017)