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Research paper List

2025

Reaction pathway prediction
Quantum chemical modeling

38

Electron flow matching for generative reaction mechanism prediction obeying conservation laws

arXiv preprint

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

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2025

Reaction pathway prediction

37

Higher-level Strategies for Computer-Aided Retrosynthesis

ChemRxiv preprint

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*

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2025

Reaction pathway prediction

36

ASKCOS: an open source software suite for synthesis planning

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

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*

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2024

De novo molecule generation
Optical property analysis

35

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

ACS Cent. Sci., 11 (2), 219-227 (2024)

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

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2024

Reaction pathway prediction
Experimental dataset

34

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

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

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

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2022

Optical property analysis

33

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

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

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

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2022

Quantum chemical modeling
Excited-state reaction

32

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

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

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

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2022

Molecular property prediction
Experimental dataset

31

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

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

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

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2022

Molecular property prediction
Optical property analysis

30

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

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

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

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2022

Quantum chemical modeling

29

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

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

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*

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2022

Clinical outcome prediction

28

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

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

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

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2021

Optical property analysis

27

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

ACS Appl. Mater. Interfaces, 13 (26), 43174-43185 (2021)

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

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2021

Optical property analysis
Quantum chemical modeling

26

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

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

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*

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2021

Molecular property prediction
Optical property analysis

25

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

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

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

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2021

Optical property analysis

24

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

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

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

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2020

Optical property analysis
Quantum chemical modeling

23

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

Nat. Commun., 11, 6260 (2020)

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

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2020

Optical property analysis

22

Direct Photolithographic Patterning of Colloidal Quantum Dots Enabled by UV-Crosslinkable & Hole-Transporting Polymer Ligand

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

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

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2020

Experimental dataset
Optical property analysis

21

Experimental database of optical properties of organic compounds

Sci. Data, 7, 295 (2020)

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

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2020

Optical property analysis

20

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

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

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*

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2020

Quantum chemical modeling

19

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

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

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*

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2020

Optical property analysis

18

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

NPG Asia Mater., 12, 19 (2020)

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*

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2020

Excited-state reaction
Quantum chemical modeling

17

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

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

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

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2020

Optical property analysis

16

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

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

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

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2019

Optical property analysis

15

Covalently Linked, Perylene diimide Polydiacetylene Nanofibers Display Enhanced Stability and Photocurrent with Reversible FRET Phenomenon

Small, 15 (19), 1901342 (2019)

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

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2019

Excited-state reaction
Quantum chemical modeling

14

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

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

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

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2019

Optical property analysis

13

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

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

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*

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2018

Optical property analysis
Quantum chemical modeling

12

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

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

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

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2018

Optical property analysis

11

Fluorescent Organic Glass with Unique Optical and Mechanical Properties

Adv. Funct. Mater., 28 (39), 1081394 (2018)

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

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2018

Quantum chemical modeling

10

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

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

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

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2018

Optical property analysis
Quantum chemical modeling

9

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

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

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

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2018

Excited-state reaction
Quantum chemical modeling

8

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

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

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

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2017

Excited-state reaction
Quantum chemical modeling

7

Ionic effect on the excited-state proton transfer reactions in aqueous solutions

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

Joonyoung F. Joung, Sangin Kim, Sungnam Park*

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2017

Optical property analysis

6

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

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

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

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2017

Optical property analysis
Quantum chemical modeling

5

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

Macromolecules, 50 (3), 900-913 (2017)

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

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2016

Optical property analysis

4

Photoinduced Reversible Phase Transition of Azobenzene-Containing Polydiacetylene Crystals

Chem. Commun., 52 (97), 14059-14062 (2016)

Woohyun Baek, Jung-Moo Heo, Seungwhan Oh, Sang-hwa Lee, Jaeyong Kim, Joonyoung F. Joung, Sungnam Park, Hesson Chung, Jong-Man Kim*

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2016

Excited-state reaction
Optical property analysis

3

Electronic relaxation dynamics of PCDA-PDA studied by transient absorption spectroscopy

Phys. Chem. Chem. Phys., 18 (33), 23096-23104 (2016)

Joonyoung F. Joung, Junwoo Baek, Youngseo Kim, Songyi Lee, Myung Hwa Kim, Juyoung Yoon*, Sungnam Park*

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2016

Excited-state reaction
Optical property analysis

2

Origin of the Reversible Thermochromic Properties of Polydiacetylenes Revealed by Ultrafast Spectroscopy

J. Phys. Chem. Lett., 7 (2), 259-265 (2016)

Junwoo Baek†, Joonyoung F. Joung†, Songyi Lee†, Hanju Rhee, Myung Hwa Kim, Sungnam Park*, Juyoung Yoon*

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2015

Excited-state reaction
Quantum chemical modeling

1

Effect of NaCl Salts on the Activation Energy of Excited-State Proton Transfer Reaction of Coumarin 183

J. Phys. Chem. B, 119 (50), 15509-15515 (2015)

Joonyoung F. Joung, Sangin Kim, Sungnam Park*

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