RESEARCH
Current Research Topics
Developing Mathematical Models
for Complex Polymeric Systems
[ Coarse-grained Model of Bottlebrushes ]
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Coarse-grained molecular simulation of bottlebrush polymer
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Investigating the effects of grafting density on the stiffness of polymer
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Predicting conformation and phase behavior of bottlebrush block copolymer system
[ Morphological Diversity in Graft-Linear Block Copolymer(BCPs) ]
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Coarse-grained molecular simulation of comb polymer
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Investigating the effects of grafting density on phase transitions
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Predicting conformation and phase behavior of comb polymer system
[ Mesoscale Simulation Model for Solution Assembly ]
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Generic Framework of Mesoscale Simulations for Solution Self-Assembly of Polymers
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Investigating the relationship between the model parameters and experimentally measurable quantities (e.g., single-chain conformation, chain density, interfacial and surface tensions)
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Polymer solution assembly over a wide range of concentrations and solvent qualities
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Predicting structure and shape evolution in emulsified BCP droplets
[ Solution Assembly of Amphiphilic Grafting Polymer ]
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Developed a coarse-grained model-based simulator for grafting polymer self-assembly with diverse chain architectures.
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Explored effects of chain architecture on amphiphilic grafting polymers in solutions, considering grafting density, distribution of grafting points, and polymer concentration.
[ Modeling of Extreme Ultraviolet (EUV)
Photoresist & Patterning Process ]
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Development of coarse-grained molecular simulation reflecting both chain conformation and stochastic terms (e.g. photon shot noise, acid diffusion) for EUV patterning process.
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Investigation on the effect of photon distribution, material conformation, acid diffusion, and initial chain alignment on the final roughness of EUV resist.
[ High-resolution Patterning Combined with
EUV and DSA (Directed Self-Assembly) ]
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Exploring the application of Directed Self-Assembly (DSA) on EUV Lithography Patterns for Line Patterns or Cylindrical Patterns and defect removal through simulation and modeling
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Understanding the relationship between the chemical structure and self-assembly characteristics of polymers
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Exploring new materials and mechanisms that can create optimal structures when combined with EUV lithography
[ Dielectric Spectroscopy of Low Permittivity Polymers ]
Calculation of dielectric properties
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Dielectric constant estimation for polymers in melt using Molecular Dynamic simulations
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Exploring the effect of different functional groups in the complex permittivity as function of frequency
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Evaluate the suitability of additives that maintain or improve the dielectric properties of the studied polymers
[ Infiltration of Biopolymers into Mesoporous Particles ]
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Developing a coarse-grained simulation model for porous particles and polymer
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Understanding structural parameters effect on cohesion strength
[ Solvent Vapor annealing ]
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Molecular dynamic simulation of our virial model to observe the dynamic sphere splitting phenomenon behind pattern multiplication during Solvent Vapor Annealing
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By mapping the local energies, it is found that local interfacial energies are the main driving force of the splitting rather than chain stretching/compressing
Materials/Systems Design through Data Science
and Machine Learning Techniques
[ Defect Detection and Classification ]
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Detection and classification of defects in directed self-assembly of block copolymers using machine learning (YOLOv3)
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Augmenting simulated data to limited experimental data to enhance the network training : testing efficiency for data mixing or transfer learning
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Evaluating data quality for network performance
[ Polymer Property Prediction and Inverse Design ]
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Applying deep learning to polymer systems
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Classification: Identification of defects in directed self-assembly of block copolymers.
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Estimation: Prediction of polymer properties
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Inverse design: Generating a new polymer structure using deep learning
[ Battery State-of-Health(SOH) Prediction ]
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Applying deep learning to battery systems
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Estimation: Prediction of state of health of battery using Electrochemical Impedance Spectroscopy data
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Feature reduction : SHAP analysis for investigating the feature impact on SOH, PCA for simplifying complexity of the data
[ Molecular Dynamic Simulations Combined with Machine Learning ]
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Precise measurement of Glass Transition Temperature (Tg) achieved by clustering the Radius of Gyration (Rg) across multiple timeframes and temperatures.
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Observing the Tg depiction of polymer free-standing thins films as a function of thickness and further insights into the different Tg of interface and center region of the film using clustering method
Non-simple Boundary and
Its Effects on Self-assembly
[ Emulsified BCP droplets ]
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Predicting structure and shape evolution in emulsified BCP droplets
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Investigating the effects of surface energy difference on the final morphology
[ Boundary Directed Epitaxy ]
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Development of efficient simulation approaches using Monte Carlo and Molecular Dynamics frameworks to investigate complicated geometric surface effects.
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Validation of these approaches by quantifying the importance of non-flat free top surface in the experimental system of self-assembly of tri-block copolymer on graphene nano-ribbons.
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Further studies to understand the role of 3D bottom substrates in the mechanism of defect annihilation for lamellae-forming block copolymer systems.
[ Multicomponent Polymer brushes ]
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Morphologies of block copolymer brushes and mixed polymer brushes under various conditions
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Investigation on the effect of system parameters (e.g. molar composition, grafting density, segregation strength, surface interactions, solvent quality) on phase behavior of brushes
[ Phase Evolution of Block Copolymer on Preferential Substrate ]
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Morphology formation and phase evolution of block copolymer films depending on interfacial wetting condition
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Effect of irreversibly adsorbed layer on phase behavior of BCP