Son Research Lab Computational Modeling for Energy/Bio Soft Materials Research

Publications

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*: corresponding authors, †:equal contribution, name: group members

Submitted

Kim, S.H.; Kang, S.; Jeong, M.; Park, J.; Jeong, S.; Son, C.Y.; Cho, K.* “Effects of Energetic Disorder on Free Charge Generation in Doped Conjugated Polymers” submitted

Jeong, K.-J.; Son, C.Y*. “Importance of Collective Ion Transport in Molecular Weight Dependence of Conductivity in Block Copolymer Electrolytes” submitted

Kim, D.†; Min, J.†; Jeong, K.-J.†; Ok, E.; Im, J.; Choi, H.H.; Lee, G.; Son, C.Y.*; Cho, K.* “Stoichiometric Anion Exchange by Low-Dielectric-Constant Solvent for Highly-Doped Conjugated Polymers with Enhanced Environmental Stability”, submitted

Published

Accepted

2025

Aptamer-Guided, Hydrolysis-Resistant Deoxyoxanosine Enables Epitope- and Moiety-Selective Conjugation to Nonengineered Proteins Even in Complex Environments
Aptamer-Guided, Hydrolysis-Resistant Deoxyoxanosine Enables Epitope- and Moiety-Selective Conjugation to Nonengineered Proteins Even in Complex Environments Hyesung Jo, Seonmin Ju, Minhye Kim, Jiyun Beon, Se-Young Jang, Seung Pil Pack, Chang Yun Son, Jong-Seo Kim, Seung Soo Oh*. Journal of the American Chemical Society, 2025147 (11), 9328–9340. doi:10.1021/jacs.4c15674
Tailoring of Selective Chemo‐Responsiveness in Liquid Crystals via Organic Ionic Plastic Crystals
Tailoring of Selective Chemo‐Responsiveness in Liquid Crystals via Organic Ionic Plastic Crystals Jin‐Kang Choi†, Kyeong‐Jun Jeong†, Yena Choi, Won‐Sik Kim, Jong Chan Shin, Jun‐Hyung Im, Hyein Kim, Minjae Lee*, Chang Yun Son*, Young‐Ki Kim*. Small, 2025, 2410079. doi:10.1002/smll.202410079

2024

Molecular Engineering of Coordination Ligand for Multifunctional Sol-gel Oxides
Molecular Engineering of Coordination Ligand for Multifunctional Sol-gel Oxides Juhyeok Lee†, Syed Zahid Hassan†, Hye Ryun Sim, Sangjun Lee, Kyeong‐Jun Jeong, Jieun Kwon, Chang Yun Son, Dae Sung Chung*. Advanced Materials, 202436 (46), 2409906. doi:10.1002/adma.202409906
Hydrophilic Photocrosslinkers as a Universal Solution to Endow Water Affinity to a Polymer Photocatalyst for an Enhanced Hydrogen Evolution Rate
Hydrophilic Photocrosslinkers as a Universal Solution to Endow Water Affinity to a Polymer Photocatalyst for an Enhanced Hydrogen Evolution Rate Sanghyeok An†, Kyeong‐Jun Jeong†, Syed Zahid Hassan, Gayoung Ham, Seonghyeon Kang, ..., Han Young Woo, Han‐Hee Cho, Hyojung Cha*, Chang Yun Son*, Dae Sung Chung*. Advanced Science, 202411 (28), 2309786. doi:10.1002/advs.202309786

2023

G‐Quadruplex‐Filtered Selective Ion‐to‐Ion Current Amplification for Non‐Invasive Ion Monitoring in Real Time
G‐Quadruplex‐Filtered Selective Ion‐to‐Ion Current Amplification for Non‐Invasive Ion Monitoring in Real Time Hyebin Yoo, Hyun‐Ro Lee, Soon‐Bo Kang, Juhwa Lee, Kunwoong Park, ..., Kyung‐Mi Lee, Hyun‐Ho Lim*, Chang Yun Son*, Jeong‐Yun Sun*, Seung Soo Oh*. Advanced Materials, 202335 (42), 2303655. doi:10.1002/adma.202303655
Sculpting In‐plane Fractal Porous Patterns in Two‐Dimensional MOF Nanocrystals for Photoelectrocatalytic CO<sub>2</sub> Reduction
Sculpting In‐plane Fractal Porous Patterns in Two‐Dimensional MOF Nanocrystals for Photoelectrocatalytic CO2 Reduction Soumen Dutta, Akshay Gurumoorthi, Shinbi Lee, Sun Woo Jang, Nitee Kumari, Yu‐Rim Hong, Wonyong Choi, Chang Yun Son*, In Su Lee*. Angewandte Chemie, 202362 (28), e202303890. doi:10.1002/ange.202303890
Effects of Connecting Polymer Structure and Morphology at Inter‐Tube Junctions on the Thermoelectric Properties of Conjugated Polymer/Carbon Nanotube Composites
Effects of Connecting Polymer Structure and Morphology at Inter‐Tube Junctions on the Thermoelectric Properties of Conjugated Polymer/Carbon Nanotube Composites Seong Hyeon Kim†, Seungwon Jeong†, Daegun Kim, Chang Yun Son*, Kilwon Cho*. Advanced Electronic Materials, 20239 (7), 2201293. doi:10.1002/aelm.202201293

2022

Predictive Molecular Models for Charged Materials Systems: From Energy Materials to Biomacromolecules
Predictive Molecular Models for Charged Materials Systems: From Energy Materials to Biomacromolecules Kyeong‐jun Jeong†, Seungwon Jeong†, Sangmin Lee†, Chang Yun Son*. Advanced Materials, 202235 (4), 2204272. doi:10.1002/adma.202204272
Perspective article
De novo selected hACE2 mimics that integrate hotspot peptides with aptameric scaffolds for binding tolerance of SARS-CoV-2 variants
De novo selected hACE2 mimics that integrate hotspot peptides with aptameric scaffolds for binding tolerance of SARS-CoV-2 variants Minjong Lee, Byunghwa Kang, Juhwa Lee, Jisun Lee, Sang Taek Jung, Chang Yun Son, Seung Soo Oh*. Science Advances, 20228 (43), eabq6207. doi:10.1126/sciadv.abq6207
Superionic Bifunctional Polymer Electrolytes for Solid‐State Energy Storage and Conversion
Superionic Bifunctional Polymer Electrolytes for Solid‐State Energy Storage and Conversion Rui‐Yang Wang, Seungwon Jeong, Hyeonseong Ham, Jihoon Kim, Hojun Lee, Chang Yun Son*, Moon Jeong Park*. Advanced Materials, 202235 (4), 2203413. doi:10.1002/adma.202203413
Chain flexibility of medicinal lipids determines their selective partitioning into lipid droplets
Chain flexibility of medicinal lipids determines their selective partitioning into lipid droplets So-Hee Son, Gyuri Park, Junho Lim, Chang Yun Son*, Seung Soo Oh*, Ju Young Lee*. Nature Communications, 202213 (1), 3612. doi:10.1038/s41467-022-31400-6
paper
Metastable hexagonal close-packed palladium hydride in liquid cell TEM
Metastable hexagonal close-packed palladium hydride in liquid cell TEM Jaeyoung Hong, Jee-Hwan Bae, Hyesung Jo, Hee-Young Park, Sehyun Lee, ..., Chang Yun Son*, Yongsoo Yang*, Young-Su Lee*, Sung Jong Yoo*, Dong Won Chun*. Nature, 2022603, 631-636. doi:10.1038/s41586-021-04391-5
Enhanced Electrochemical Properties of Block Copolymer Electrolytes with Blended End-Functionalized Homopolymers
Enhanced Electrochemical Properties of Block Copolymer Electrolytes with Blended End-Functionalized Homopolymers Jihoon Kim, Kyeong-Jun Jeong, Kyoungwook Kim, Chang Yun Son, Moon Jeong Park*. Macromolecules, 202255 (6), 2028-2040. doi:10.1021/acs.macromol.1c02461

2021

Enhancing ion transport in charged block copolymers by stabilizing low symmetry morphology: Electrostatic control of interfaces
Enhancing ion transport in charged block copolymers by stabilizing low symmetry morphology: Electrostatic control of interfaces Jaemin Min, Ha Young Jung, Seungwon Jeong, Byeongdu Lee, Chang Yun Son*, Moon Jeong Park*. Proceedings of the National Academy of Sciences, 2021118 (32), e2107987118. doi:10.1073/pnas.2107987118
Au/Pt‐Egg‐in‐Nest Nanomotor for Glucose‐Powered Catalytic Motion and Enhanced Molecular Transport to Living Cells
Au/Pt‐Egg‐in‐Nest Nanomotor for Glucose‐Powered Catalytic Motion and Enhanced Molecular Transport to Living Cells Taewan Kwon, Nitee Kumari, Amit Kumar, Jongwon Lim, Chang Yun Son, In Su Lee*. Angewandte Chemie International Edition, 202160 (32), 17579–17586. doi:10.1002/anie.202103827
Image-charge effects on ion adsorption near aqueous interfaces
Image-charge effects on ion adsorption near aqueous interfaces Chang Yun Son, Zhen-Gang Wang*. Proceedings of the National Academy of Sciences, 2021118 (19), e2020615118. doi:10.1073/pnas.2020615118

2020

Identifying the proton loading site cluster in the ba cytochrome c oxidase that loads and traps protons
Identifying the proton loading site cluster in the ba cytochrome c oxidase that loads and traps protons Xiuhong Cai, Chang Yun Son, Junjun Mao, Divya Kaur, Yingying Zhang, Umesh Khaniya, Qiang Cui, M.R. Gunner. Biochimica et Biophysica Acta (BBA) - Bioenergetics, 20201861 (10), 148239. doi:10.1016/j.bbabio.2020.148239
Ion transport in small-molecule and polymer electrolytes
Ion transport in small-molecule and polymer electrolytes Chang Yun Son*, Zhen-Gang Wang*. The Journal of Chemical Physics, 2020153 (10), 100903. doi:10.1063/5.0016163
Protonation-Driven Aqueous Lyotropic Self-Assembly of Synthetic Six-Tail Lipidoids
Protonation-Driven Aqueous Lyotropic Self-Assembly of Synthetic Six-Tail Lipidoids James Jennings, Matthew C. D. Carter, Chang Yun Son, Qiang Cui, David M. Lynn, Mahesh. K. Mahanthappa. Langmuir, 202036 (28), 8240–8252. doi:10.1021/acs.langmuir.0c01369

2019

Proper Thermal Equilibration of Simulations with Drude Polarizable Models: Temperature-Grouped Dual-Nosé–Hoover Thermostat
Proper Thermal Equilibration of Simulations with Drude Polarizable Models: Temperature-Grouped Dual-Nosé–Hoover Thermostat Chang Yun Son, Jesse G. McDaniel, Qiang Cui, Arun Yethiraj. The Journal of Physical Chemistry Letters, 201910 (23), 7523–7530. doi:10.1021/acs.jpclett.9b02983

2018

Network analysis of a proposed exit pathway for protons to the P-side of cytochrome c oxidase
Network analysis of a proposed exit pathway for protons to the P-side of cytochrome c oxidase Xiuhong Cai, Kamran Haider, Jianxun Lu, Slaven Radic, Chang Yun Son, Qiang Cui, M.R. Gunner. Biochimica et Biophysica Acta (BBA) - Bioenergetics, 20181859 (10), 997-1005. doi:10.1016/j.bbabio.2018.05.010
Conformational and Dynamic Properties of Poly(ethylene oxide) in BMIM<sup>+</sup>BF<sub>4</sub><sup>–</sup>: A Microsecond Computer Simulation Study Using ab Initio Force Fields
Conformational and Dynamic Properties of Poly(ethylene oxide) in BMIM+BF4: A Microsecond Computer Simulation Study Using ab Initio Force Fields Chang Yun Son, Jesse G. McDaniel, Qiang Cui, Arun Yethiraj. Macromolecules, 201851 (14), 5336–5345. doi:10.1021/acs.macromol.8b01002
Ion Correlation and Collective Dynamics in BMIM/BF<sub>4</sub>-Based Organic Electrolytes: From Dilute Solutions to the Ionic Liquid Limit
Ion Correlation and Collective Dynamics in BMIM/BF4-Based Organic Electrolytes: From Dilute Solutions to the Ionic Liquid Limit Jesse G. McDaniel, Chang Yun Son. The Journal of Physical Chemistry B, 2018122 (28), 7154–7169. doi:10.1021/acs.jpcb.8b04886
Ab Initio Force Fields for Organic Anions: Properties of [BMIM][TFSI], [BMIM][FSI], and [BMIM][OTf] Ionic Liquids
Ab Initio Force Fields for Organic Anions: Properties of [BMIM][TFSI], [BMIM][FSI], and [BMIM][OTf] Ionic Liquids Jesse G. McDaniel, Chang Yun Son, Arun Yethiraj. The Journal of Physical Chemistry B, 2018122 (14), 4101–4114. doi:10.1021/acs.jpcb.8b01221

2017

Cavity hydration dynamics in cytochrome
            <i>c</i>
            oxidase and functional implications
Cavity hydration dynamics in cytochrome c oxidase and functional implications Chang Yun Son, Arun Yethiraj, Qiang Cui. Proceedings of the National Academy of Sciences, 2017114 (42),E8830-E8836. doi:10.1073/pnas.1707922114

2016

<i>Ab Initio</i> Force Fields for Imidazolium-Based Ionic Liquids
Ab Initio Force Fields for Imidazolium-Based Ionic Liquids Jesse G. McDaniel, Eunsong Choi, Chang Yun Son, J. R. Schmidt, Arun Yethiraj. The Journal of Physical Chemistry B, 2016120 (28), 7024–7036. doi:10.1021/acs.jpcb.6b05328
First-Principles United Atom Force Field for the Ionic Liquid BMIM<sup>+</sup>BF<sub>4</sub><sup>–</sup>: An Alternative to Charge Scaling
First-Principles United Atom Force Field for the Ionic Liquid BMIM+BF4: An Alternative to Charge Scaling Chang Yun Son, Jesse G. McDaniel, J. R. Schmidt, Qiang Cui, Arun Yethiraj. The Journal of Physical Chemistry B, 2016120 (14), 3560–3568. doi:10.1021/acs.jpcb.5b12371
Conformational and Dynamic Properties of Poly(ethylene oxide) in an Ionic Liquid: Development and Implementation of a First-Principles Force Field
Conformational and Dynamic Properties of Poly(ethylene oxide) in an Ionic Liquid: Development and Implementation of a First-Principles Force Field Jesse G. McDaniel, Eunsong Choi, Chang Yun Son, J. R. Schmidt, Arun Yethiraj. The Journal of Physical Chemistry B, 2016120 (1), 231–243. doi:10.1021/acs.jpcb.5b10065
Multiple gas-phase conformations of proline-containing peptides: is it always cis/trans isomerization?
Multiple gas-phase conformations of proline-containing peptides: is it always cis/trans isomerization? Christopher B. Lietz, Zhengwei Chen, Chang Yun Son, Xueqin Pang, Qiang Cui, Lingjun Li. The Analyst, 2016141 (16), 4863-4869. doi:10.1039/C5AN00835B

2013

An accurate expression for the rates of diffusion-influenced bimolecular reactions with long-range reactivity
An accurate expression for the rates of diffusion-influenced bimolecular reactions with long-range reactivity Chang Yun Son, Jaehoon Kim, Ji-Hyun Kim, Jun Soo Kim, Sangyoub Lee. The Journal of Chemical Physics, 2013138 (16), 164123. doi:10.1063/1.4802584

2011

Effects of the interaction potential and hydrodynamic interaction on the diffusion-influenced reaction rates
Effects of the interaction potential and hydrodynamic interaction on the diffusion-influenced reaction rates Chang Yun Son, Sangyoub Lee. The Journal of Chemical Physics, 2011135 (22), 224512. doi:10.1063/1.3665415
Zwanzig-Mori equation for the time-dependent pair distribution function
Zwanzig-Mori equation for the time-dependent pair distribution function Song-Ho Chong, Chang Yun Son, Sangyoub Lee. Physical Review E, 201183, 041201. doi:10.1103/PhysRevE.83.041201
Communication: Propagator for diffusive dynamics of an interacting molecular pair
Communication: Propagator for diffusive dynamics of an interacting molecular pair Sangyoub Lee, Chang Yun Son, Jaeyoung Sung, Song-Ho Chong. The Journal of Chemical Physics, 2011134 (12),121102. doi:10.1063/1.3565476