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Research paper List

2025

38

Electron flow matching for generative reaction mechanism prediction obeying conservation laws

Reaction pathway prediction
Quantum chemical modeling

arXiv preprint

Joonyoung F. Joungโ€ , Mun Hong Fongโ€ , Nicholas Casetti, Jordan P. Liles, Ne S. Dassanayake, Connor W. Coley*

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2025

37

Higher-level Strategies for Computer-Aided Retrosynthesis

Reaction pathway prediction

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

36

ASKCOS: an open source software suite for synthesis planning

Reaction pathway prediction

arXiv preprint

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

35

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

De novo molecule generation
Optical property analysis

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

Minhi Hanโ€ , Joonyoung F. Joungโ€ , Minseok Jeong, Dong Hoon Choi, Sungnam Park*

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2024

34

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

Reaction pathway prediction
Experimental 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

33

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

Optical property analysis

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

32

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

Quantum chemical modeling
Excited-state reaction

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

Joonyoung F. Joungโ€ , Minseok Jeongโ€ , Sungnam Park*

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2022

31

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

Molecular property prediction
Experimental dataset

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

Minseok Jeongโ€ , Joonyoung F. Joungโ€ , Jinhyo Hwangโ€ , Minhi Hanโ€ , Chang Woo Koh, Dong Hoon Choi*, Sungnam Park*

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2022

30

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

Molecular property prediction
Optical property analysis

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

Joonyoung F. Joungโ€ , Minhi Hanโ€ , Minseok Jeong, Sungnam Park*

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2022

29

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

Quantum chemical modeling

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

28

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

Clinical outcome prediction

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

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

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2021

27

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

Optical property analysis

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

26

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

Optical property analysis
Quantum chemical modeling

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

Jung Min Haโ€ , Hye Beom Shinโ€ , Joonyoung F. Joungโ€ , 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

25

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

Molecular property prediction
Optical property analysis

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

Joonyoung F. Joungโ€ , Minhi Hanโ€ , Jinhyo Hwang, Minseok Jeong, Dong Hoon Choi, Sungnam Park*

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2021

24

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

Optical property analysis

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

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

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2020

23

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

Optical property analysis
Quantum chemical modeling

Nat. Commun., 11, 6260 (2020)

Joonsik Seoโ€ , Joonyoung F. Joungโ€ , Sungnam Park*, Young Ji Son, Jaegeun Noh, Jong-Man Kim*

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2020

22

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

Optical property analysis

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

21

Experimental database of optical properties of organic compounds

Experimental dataset
Optical property analysis

Sci. Data, 7, 295 (2020)

Joonyoung F. Joungโ€ , Minhi Hanโ€ , Minseok Jeong, Sungnam Park*

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2020

20

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

Optical property analysis

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

19

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

Quantum chemical modeling

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

18

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

Optical property analysis

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

17

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

Excited-state reaction
Quantum chemical modeling

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

Joonyoung F. Joungโ€ , Jeeun Leeโ€ , Joungin Hwang, Kihang Choi*, Sungnam Park*

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2020

16

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

Optical property analysis

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

15

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

Optical property analysis

Small, 15 (19), 1901342 (2019)

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

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2019

14

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

Excited-state reaction
Quantum chemical modeling

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

Ying Huโ€ , Joonyoung F. Joungโ€ , Ji-Eun Jeong, Yerin Jeong, Han Young Woo, Yuanbin She, Sungnam Park*, Juyoung Yoon*

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2019

13

Synthesis, Structure, and Photoluminescence Properties of a Metalโ€Organic Framework with Hexagonal Channels: Selective Turnโ€On Sensing for Mg2+ Ion

Optical property analysis

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

12

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

Optical property analysis
Quantum chemical modeling

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

Xin Zhangโ€ , Gyeongju Koโ€ , Joonyoung F. Joungโ€ , 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

11

Fluorescent Organic Glass with Unique Optical and Mechanical Properties

Optical property analysis

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

10

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

Quantum chemical modeling

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

9

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

Optical property analysis
Quantum chemical modeling

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

8

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

Excited-state reaction
Quantum chemical modeling

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

Joonyoung F. Joungโ€ , Sangin Kim, Sungnam Park*

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2017

7

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

Excited-state reaction
Quantum chemical modeling

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

Joonyoung F. Joung, Sangin Kim, Sungnam Park*

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2017

6

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

Optical property analysis

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

5

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

Optical property analysis
Quantum chemical modeling

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

4

Photoinduced Reversible Phase Transition of Azobenzene-Containing Polydiacetylene Crystals

Optical property analysis

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

3

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

Excited-state reaction
Optical property analysis

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

2

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

Excited-state reaction
Optical property analysis

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

Junwoo Baekโ€ , Joonyoung F. Joungโ€ , Songyi Leeโ€ , Hanju Rhee, Myung Hwa Kim, Sungnam Park*, Juyoung Yoon*

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2015

1

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

Excited-state reaction
Quantum chemical modeling

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

Joonyoung F. Joung, Sangin Kim, Sungnam Park*

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