Research Topics

We use molecular simulation, theory, and machine learning to connect molecular motion and arrangement with the behavior of salt solutions, polymer-coated nanoparticles, glasses, and gels.

Research areas

Other

All Publications

2025

Exploring the Reaction Network of Acetic Acid in Supercritical Water via Machine Learning Interatomic Potential

Jae Hyun Ryu et al., Journal of Chemical Information and Modeling

[Chemical Reaction Simulation with Ab Initio and Machine-Learning Methods]

Controlling 2D Nanoparticle Self-Assembly Mesophases via Symmetry Breaking Driven by Single Bottlebrush Polymer Conjugation

SeoYeun Kim et al., Langmuir

[Self-Assembly of Nanoparticles and Colloids]

Variations of the Depletion Zones around Inclusions Explain the Complexity of Brush-Induced Depletion Interactions

Daeseong Yong et al., Journal of Chemical Theory and Computation

[Molecular Simulation of Polymers]

Depletion interaction between cylindrical inclusions in polymer brushes

Ji Woong Yu et al., Macromolecules

[Molecular Simulation of Polymers]

Elasticity of swollen and folded polyacrylamide hydrogel using the MARTINI coarse-grained model

Seunghyok Rho et al., ACS Applied Materials & Interfaces

[Multiscale Modeling of Hydrogels]

Self-assembly of architected macromolecules: Bridging a gap between experiments and simulations

Ji Woong Yu et al., Chemical Physics Reviews

[Self-Assembly of Nanoparticles and Colloids]

2024

Anomalous water penetration in Al3+ dissolution

Minwoo Kim et al., The Journal of Physical Chemistry Letters

[Aqueous Chemistry with Machine-Learning Force Fields]

Understanding the dielectric relaxation of liquid water using neural network potential and classical pairwise potential

Jae Hyun Ryu et al., Journal of Molecular Liquids

[Aqueous Chemistry with Machine-Learning Force Fields]

Modulating the thermoresponsive characteristics of PLGA-PEG-PLGA hydrogels via manipulation of PLGA monomer sequences

SeongHoon Jo et al., Biomacromolecules

[Multiscale Modeling of Hydrogels]

Two-Regime Conformation of Grafted Polymer on Nanoparticle Determines Symmetry of Nanoparticle Self-Assembly

Ji Woong Yu et al., Advanced Science

[Self-Assembly of Nanoparticles and Colloids]

Spatiotemporal characterization of water diffusion anomalies in saline solutions using machine learning force field

Ji Woong Yu et al., Science Advances

[Aqueous Chemistry with Machine-Learning Force Fields]

2022

A highly efficient and transparent luminescent solar concentrator based on a nanosized metal cluster luminophore anchored on polymers

Jun Choi et al., Journal of Materials Chemistry C

[Collaborative Projects]

2021

Dynamical time scales of friction dynamics in active microrheology of a model glass

A. Madanchi et al., Soft Matter

[Glass Dynamics and Microrheology]

Real-space imaging of nanoparticle transport and interaction dynamics by graphene liquid cell TEM

Sungsu Kang et al., Science Advances

[Self-Assembly of Nanoparticles and Colloids]

2020

Active microrheology of a bulk metallic glass

Ji Woong Yu et al., Science Advances

[Glass Dynamics and Microrheology]

Enhanced sampling of cylindrical microphase separation via a shell-averaged bond-orientational order parameter

Bumjoon Seo et al., Soft Matter

[Molecular Simulation of Polymers]

Controlled assembly of icosahedral colloidal clusters for structural coloration

Cheolho Kim et al., Chemistry of Materials

[Self-Assembly of Nanoparticles and Colloids]

2019

Symmetry transitions of polymer-grafted nanoparticles: Grafting density effect

Hongseok Yun et al., Chemistry of Materials

[Self-Assembly of Nanoparticles and Colloids]

2018

Highly conductive, stretchable and biocompatible Ag-Au core-sheath nanowire composite for wearable and implantable bioelectronics

Suji Choi et al., Nature Nanotechnology

[Collaborative Projects]

Efficient Conduction in Thin Film Transistors Consisting of Colloidal Nanocrystals: Effect of Nanocrystal Geometry

Hansol Wee et al., Advanced Theory and Simulations

[Self-Assembly of Nanoparticles and Colloids]

2017

Assemblies of colloidal CdSe tetrapod nanocrystals with lengthy arms for flexible thin-film transistors

Hyeonjun Heo et al., Nano Letters

[Self-Assembly of Nanoparticles and Colloids]

High-resolution spin-on-patterning of perovskite thin films for a multiplexed image sensor array

Woongchan Lee et al., Advanced Materials

[Collaborative Projects]