Publications

2026

OPRD-Imp: a dataset of experimentally observed impurities and side products in multi-step pharmaceutical syntheses

Heejeong Kim, Seonbin Kim, Jihwan Kim, Tim Pinkhassik, Magdalena Lederbauer, Suong Tran, Connor W. Coley, Juyoung Yoon*, Joonyoung F. Joung*

arXiv, Submitted (2026)

Metal- and photocatalyst-free aerobic dehydrogenation of N-heterocycles under visible light via substrate self-association

Mincheol Park, Hyena Suh, Jun-Young Cho, Junghoon Noh, Sohyeon Kim, Yeonjin Ko, Joonyoung F. Joung*, and Boyoung Y. Park*

Green Chem., accepted (2026)

Encoding Composition-Dependent Intermolecular Interactions into Learned Molecular Representations

Jihwan Kim, Chanjoong Kim, Joonyoung F. Joung*

Chem. Eng. J., 550, 183472 (2026)

Wavenumber-Aware Deep Learning for Robust Analysis of Raman Spectra

Jihwan Kim†, Jaeseong Heo†, Yujin Kim, Sang Bin Yoon, Chanjoong Kim, Kwang-Im Oh, Hyon Bin Na, Kyungwon Kwak*, Myeongkee Park*, Joonyoung F. Joung*

Submitted (2026)

Synergistic Ligand and Composition Control for Bright and Stable CsPbBr₃/Cs₄PbBr₆ Core/Shell Colloidal Perovskite Nanocrystals

Jae Woo Kim, Jigeon Kim, Jihwan Kim, Huieun Kim, Haereum Jo, Wonjong Lee, Jongchul Lim, Joonyoung F. Joung*, Younghoon Kim*

J. Alloys Compd., 1080, 190954 (2026)

Prediction of experimental excited-state absorption spectra by using vibronic transition calculations: Its practical application to a π-conjugated molecule

Joonyoung F. Joung*, Sungnam Park*

Bull. Korean Chem. Soc., 47 (10), 1248-1256 (2026)

Continuous Light-Driven Pure CO₂ Production by Regenerative Non-Aqueous Amine–Photoacid Cycling

Gi Hyun Byun, Nayeong Kim, Joonyoung F. Joung, Michael Massen-Hane, Betar M. Gallant, Hyowon Seo, T. Alan Hatton*

ChemRxiv, Preprint (2026)

Precursor Diffusion-Controlled Scalable Synthesis of Monodisperse Iodide Perovskite Quantum Dots for Photovoltaics

Jaehyuk Kim†, Sanghun Han†, Jigeon Kim†, Hye Min Kim, Seongwon Lee, Dong Gyu Lee, Gayoung Seo, Hyeon Soo Ma, Joonyoung F. Joung, Tae Kyung Lee, Hyung Min Kim*, Jongmin Choi*, Younghoon Kim*

ACS Energy Lett., 11 (8), 5817-5828 (2026)

An overview of reaction outcome prediction with physics-based and data-driven methods

Joonyoung F. Joung*, Nicholas Casetti, Priyanka Raghavan, Connor W. Coley*

Chem. Soc. Rev., 55 (12), 6768-6813 (2026)

Defining Chemical Problems for Artificial Intelligence Models

Joonyoung F. Joung*

Bull. Korean Chem. Soc., 47 (3), 317-327 (2026)

Higher-level Strategies for Computer-Aided Retrosynthesis

Jihye Roh, Joonyoung F. Joung, Kevin Yu, Zhengkai Tu, G. Logan Bartholomew, Omar A. Santiago-Reyes, Mun Hong Fong, Richmond Sarpong, Sarah E. Reisman, Connor W. Coley*

ACS Cent. Sci., 12 (3), 345-357 (2026)

2025

Exploring Materials Data through Collaboration: 2024 KRICT ChemDX Hackathon

Su-Hyun Yoo*, Andre K. Y. Low, Jose Recatala-Gomez, Harikrishna Sahu, Chiho Kim, Joonyoung F. Joung, Hoje Chun, Katerina A. Christofidou, Joshua Berry, Michail Minotakis, Kisung Kang, Kwang-soo Kim, Gaheun Shin, Hyunwoo Jang, Sanghyuk Lee, Minkyu Park, Byung-Hyun Kim, Kihyun Shin, Jungho Shin, Aloysius Soon, Joshua Schrier*, Woosun Jang*

J. Mater. Inf., 5 (4), 54 (2025)

Electron flow matching for generative reaction mechanism prediction

Joonyoung F. Joung†, Mun Hong Fong†, Nicholas Casetti, Jordan P. Liles, Ne S. Dassanayake, Connor W. Coley*

Nature, 645, 115-123 (2025)

ASKCOS: Open-Source, Data-Driven Synthesis Planning

Zhengkai Tu, Sourabh J. Choure, Mun Hong Fong, Jihye Roh, Itai Levin, Kevin Yu, Joonyoung F. Joung, Nathan Morgan, Shih-Cheng Li, Xiaoqi Sun, Huiqian Lin, Mark Murnin, Jordan P. Liles, Thomas J. Struble, Michael E. Fortunato, Mengjie Liu, William H. Green, Klavs F. Jensen, Connor W. Coley*

Acc. Chem. Res., 58 (11), 1764-1775 (2025)

Generative deep learning-based efficient design of organic molecules with tailored properties

Minhi Han†, Joonyoung F. Joung†, Minseok Jeong, Dong Hoon Choi, Sungnam Park*

ACS Cent. Sci., 11 (2), 219-227 (2025)

2024

Reproducing Reaction Mechanisms with Machine-Learning Models Trained on a Large-Scale Mechanistic Dataset

Joonyoung F. Joung, Mun Hong Fong, Jihye Roh, Zhengkai Tu, John Bradshaw, Connor W. Coley*

Angew. Chem. Int. Ed., 63 (43), e202411296 (2024)

2022

Universal surface tailoring of perovskite nanocrystals via organic pseudohalide ligands applicable to green and blue light-emitting diodes

Jaewan Ko, Hyeondoo Je, Kitae Kim, Taejun Eom, Joonyoung F. Joung, Sungnam Park, Joona Bang*, Dong Hoon Choi*

J. Mater. Chem. C, 10 (48), 18226-18233 (2022)

Reliable experimental method for determination of photoacidity revealed by quantum chemical calculations

Joonyoung F. Joung†, Minseok Jeong†, Sungnam Park*

Phys. Chem. Chem. Phys., 24 (36), 21714-21721 (2022)

Deep learning for development of organic optoelectronic devices: Efficient prescreening of hosts and emitters in deep-blue fluorescent OLEDs

Minseok Jeong†, Joonyoung F. Joung†, Jinhyo Hwang†, Minhi Han†, Chang Woo Koh, Dong Hoon Choi*, Sungnam Park*

npj Comput. Mater., 8, 147 (2022)

Beyond Woodward-Fieser Rules: Design Principles of Property-Oriented Chromophores Based on Explainable Deep Learning Optical Spectroscopy

Joonyoung F. Joung†, Minhi Han†, Minseok Jeong, Sungnam Park*

J. Chem. Inf. Model., 62 (12), 2933-2942 (2022)

Pyridine-NBD: A homocysteine-selective fluorescent probe for glioblastoma (GBM) diagnosis based on a blood test

Youngwoong Kim, Jong Min An, Jaehoon Kim, Tamrin Chowdhury, Hyeon Jong Yu, Kyung-Min Kim, Ho Kang, Chul-Kee Park, Joonyoung F. Joung*, Sungnam Park*, Dokyoung Kim*

Anal. Chim. Acta, 1202, 339678 (2022)

Locoregional Recurrence Prediction Using a Deep Neural Network of Radiological and Radiotherapy Images

Kyumin Han, Joonyoung F. Joung, Minhi Han, Wonmo Sung*, Young-nam Kang*

J. Pers. Med., 12 (2), 143 (2022)

2021

Fullerene-Based Triads with Controlled Alkyl Spacer Length as Photoactive Materials for Single-Component Organic Solar Cells

Young Woong Lee, Jiwoo Yeop, Hyojin Lim, Won-Woo Park, Joonyoung F. Joung, Sungnam Park, Oh-Hoon Kwon*, Jin Young Kim*, Han Young Woo*

ACS Appl. Mater. Interfaces, 13 (36), 43174-43185 (2021)

Rational Molecular Design of Azaacene-based Narrowband Green-emitting Fluorophores: Modulation of Spectral Bandwidth and Vibronic Transitions

Jung Min Ha†, Hye Beom Shin†, Joonyoung F. Joung†, Won Jae Chung, Ji-Eun Jeong, Sangin Kim, Seon Hyoung Hur, Suk-Young Bae, Jun-Yun Kim, Jun Yeob Lee*, Sungnam Park*, Han Young Woo*

ACS Appl. Mater. Interfaces, 13 (22), 26227-26236 (2021)

Deep Learning Optical Spectroscopy Based on Experimental Database: Potential Applications to Molecular Design

Joonyoung F. Joung†, Minhi Han†, Jinhyo Hwang, Minseok Jeong, Dong Hoon Choi, Sungnam Park*

JACS Au, 1 (4), 427-438 (2021)

Ligand-Assisted Direct Photolithography of Perovskite Nanocrystals Encapsulated with Multifunctional Polymer Ligands for Stable, Full-Colored, High-Resolution Displays

Jaewan Ko, Kyungyeon Ma, Joonyoung F. Joung, Sungnam Park, Joona Bang*

Nano Lett., 21 (5), 2288-2295 (2021)

2020

Light-directed trapping of metastable intermediates in a self-assembly process

Joonsik Seo†, Joonyoung F. Joung†, Sungnam Park*, Young Ji Son, Jaegeun Noh, Jong-Man Kim*

Nat. Commun., 11, 6260 (2020)

Direct Photolithographic Patterning of Colloidal Quantum Dots Enabled by UV-Crosslinkable and Hole-Transporting Polymer Ligands

Jaewan Ko, Jun Hyuk Chang, Byeong Guk Jeong, Hyung Jong Kim, Joonyoung F. Joung, Sungnam Park, Dong Hoon Choi*, Wan Ki Bae*, Joona Bang*

ACS Appl. Mater. Interfaces, 12 (37), 42153-42160 (2020)

Experimental database of optical properties of organic compounds

Joonyoung F. Joung†, Minhi Han†, Minseok Jeong, Sungnam Park*

Sci. Data, 7, 295 (2020)

Green-, Red-, and Near-Infrared-Emitting Polymer Dot Probes for Simultaneous Multicolor Cell Imaging with a Single Excitation Wavelength

Ji-Eun Jeong, Mohammad Afsar Uddin, Hwa Sook Ryu, Hee-Chang Kim, Minsu Kang, Joonyoung F. Joung, Sungnam Park, Sang-Hee Shim*, Han Young Woo*

Chem. Mater., 32 (15), 6685-6696 (2020)

Penta-fluorophenol: A Smiles rearrangement-inspired cysteine-selective fluorescent probe for imaging of human glioblastoma

Jong Min An, Sangrim Kang, Eugene Huh, Yejin Kim, Dahae Lee, Hyejung Jo, Joonyoung F. Joung, Veronica Jihyun Kim, Ji Yeoun Lee, Yun Sik Dho, Yuna Jung, Junho K. Hur, Chan Park, Junyang Jung, Youngbuhm Huh, Ja-Lok Ku, Sojin Kim, Tamrin Chowdhury, Sungnam Park*, Jae Seung Kang*, Myung Sook Oh*, Chul-Kee Park*, Dokyoung Kim*

Chem. Sci., 11 (22), 5658-5668 (2020)

Chemically resistant and thermally stable quantum dots prepared by shell encapsulation with cross-linkable block copolymer ligands

Jaewan Ko, Byeong Guk Jeong, Jun Hyuk Chang, Joonyoung F. Joung, Suk-Young Yoon, Doh C. Lee, Sungnam Park, June Huh, Heesun Yang, Wan Ki Bae*, Se Gyu Jang*, Joona Bang*

NPG Asia Mater., 12, 19 (2020)

A new visible light triggered Arrhenius photobase and its photo-induced reactions

Joonyoung F. Joung†, Jeeun Lee†, Joungin Hwang, Kihang Choi*, Sungnam Park*

New J. Chem., 44 (3), 668-673 (2020)

Macrocyclic Diacetylene-Terthiophene Cocrystal: Molecular Self-Assembly, Topochemical Polymerization, and Energy Transfer

Kwangmin Bae†, Jung-Moo Heo†, Mohammed Iqbal Khazi, Joonyoung F. Joung, Sungnam Park, Youngmee Kim, Jong-Man Kim*

Cryst. Growth Des., 20 (1), 434-441 (2020)

2019

Covalently Linked Perylene Diimide–Polydiacetylene Nanofibers Display Enhanced Stability and Photocurrent with Reversible FRET Phenomenon

Joonsik Seo, Chandra Kantha, Joonyoung F. Joung, Sungnam Park*, Raz Jelinek, Jong-Man Kim*

Small, 15 (19), 1901342 (2019)

2-(Benzothiazol-2-yl)pyren-1-ol, a new excited state intramolecular proton transfer-based fluorescent sensor for nitroaromatic compounds

Ying Hu†, Joonyoung F. Joung†, Ji-Eun Jeong, Yerin Jeong, Han Young Woo, Yuanbin She, Sungnam Park*, Juyoung Yoon*

Sens. Actuators B Chem., 280, 298-305 (2019)

Synthesis, Structure, and Photoluminescence Properties of a Metal-Organic Framework with Hexagonal Channels: Selective Turn-On Sensing for Mg²⁺ Ion

Sunhwi Eom, Sora Park, Jeong Hwa Song, Woo Ram Lee, Han Geul Lee, Dong Won Kang, Joonyoung Francis Joung, Sungnam Park, Dohyun Moon, Chang Seop Hong*

Eur. J. Inorg. Chem., 2019 (2), 330-335 (2019)

2018

A naphthoimidazolium-cholesterol derivative as a ratiometric fluorescence based chemosensor for the chiral recognition of carboxylates

Xin Zhang†, Gyeongju Ko†, Joonyoung F. Joung†, Meng Li, Yerin Jeong, K.M.K. Swamy, Dayoung Lee, Yifan Liu, Songyi Lee*, Sungnam Park*, Tony D. James*, Juyoung Yoon*

Chem. Commun., 54 (94), 13264-13267 (2018)

Fluorescent Organic Glass with Unique Optical and Mechanical Properties

Kahoe Ku, Joonyoung F. Joung, Heeyeon Park, Myeong-Geun Kim, Sungnam Park, Woong Kim*

Adv. Funct. Mater., 28 (39), 1801394 (2018)

Elucidating the Role of Molecule-Electrode Interfacial Defects in Charge Tunneling Characteristics of Large-area Junctions

Gyu Don Kong, Junji Jin, Martin Thuo, Hyunsun Song, Joonyoung F. Joung, Sungnam Park, Hyo Jae Yoon*

J. Am. Chem. Soc., 140 (38), 12303-12307 (2018)

Topochemical polymerization of macrocyclic diacetylene with a naphthalene moiety for a tubular-shaped polydiacetylene chromophore

Chandra Kantha, Hansol Kim, Youngmee Kim, Jung-Moo Heo, Joonyoung F. Joung, Sungnam Park, Jong-Man Kim*

Dyes Pigm., 154, 199-204 (2018)

Cationic Effect on the Equilibria and Kinetics of the Excited-State Proton Transfer Reaction of a Photoacid in Aqueous Solutions

Joonyoung F. Joung†, Sangin Kim, Sungnam Park*

J. Phys. Chem. B, 122 (19), 5087-5093 (2018)

2017

Ionic effects on the proton transfer mechanism in aqueous solutions

Joonyoung F. Joung, Sangin Kim, Sungnam Park*

Phys. Chem. Chem. Phys., 19 (37), 25509-25517 (2017)

Iridium Complex Bearing Urea Groups as a Phosphorescent Chemosensor for Chiral Anion Recognition

Ying Hu, Yinan Li, Joonyoung F. Joung, Jun Yin, Sungnam Park, Juyoung Yoon*, Myung Ho Hyun*

Sens. Actuators B Chem., 241, 224-229 (2017)

Chromogenic Tubular Polydiacetylenes from Topochemical Polymerization of Self-Assembled Macrocyclic Diacetylenes

Jung-Moo Heo, Youngmee Kim, Seulki Han, Joonyoung F. Joung, Sang-hwa Lee, Sejin Han, Jaegeun Noh, Jaeyong Kim, Sungnam Park, Haiwon Lee, Yoon Mi Choi, Young-Sik Jung, Jong-Man Kim*