• Multiscale computer simulations and theoretical studies of complex fluids, e.g. block copolymers, polymer brushes, polyelectrolytes, and biological macromolecules in bulk and under confinements, and directed self-assembly of block copolymers (DSA).

• Numerical algorithms for field-theoretic simulations, molecular dynamics simulations, Monte-Carlo simulations, and phase field simulations.

• Thin and ultrathin film polymer crystallization.

1. Song, J. Q.; Liu, Y. X.*; Zhang, H. D.; “Removal Pathways of Out-of-plane Defects in Thin Films of Lamellar Forming Block Copolymers” Macromolecules 2018, 51, 4201-4212.

2. Liu, Y. X.*; Zhang, H. D.; “Structures and Surface States of Polymer Brushes in Good Solvents: Effects of Surface Interactions” Chinese J. Polym. Sci.2018, 36, 1047-1054.

3. Song, J. Q.; Liu, Y. X.*; Zhang, H. D.; “An Efficient Algorithm for Self-Consistent Field Theory Calculations of Complex Self-Assembled Structures of Block Copolymer Melts” Chinese J. Polym. Sci.2018, 36, 488-496. 

4. Liu, Y. X.; Delaney, K. T.; Fredrickson, G. H.*; “Field-Theoretic Simulations of Fluctuation-Stabilized Aperiodic Bricks-and-Mortar Mesophase in Miktoarm Star Block Copolymer/Homopolymer Blends” Macromolecules2017, 50, 6263-6272.

5. Song, J. Q.; Liu, Y. X.*; Zhang, H. D.; “A Surface Interaction Model for Self-assembly of Block Copolymers under Soft Confinement” J. Chem. Phys.2016, 145, 214902. 

6. Liu, Y. X.*; Zhang, H. D.; “Exponential time differencing methods with Chebyshev collocation for polymers confined by interacting surfaces” J. Chem. Phys. 2014, 140, 224101.

7. Liu, Y. X.*; Zhang, H. D.*; Tong, C. H.; Yang, Y. L.; “Microphase Separation and Phase Diagram of Concentrated Diblock Copolyelectrolyte Solutions Studied by Self-Consistent Field Theory Calculations in Two-Dimensional Space” Macromolecules2011, 44, 8261–8269.

8. Liu, Y. X.; Zhong, L. W.; Su, S. Z.; Chen, E. Q.*; “Phase Selection Pathways in Ultrathin Film Crystallization of a Low Molecular Weight Poly(ethylene oxide) Fraction on Mica Surfaces” Macromolecules2011, 44, 8819–8828.

9. Liu, Y. X.; Chen, E. Q.*; “Polymer crystallization of ultrathin films on solid substrates” Coord. Chem. Rev.2010, 254, 1011–1037.

10. Liu, Y. X.; Li, J. F.; Zhu, D. S.; Chen, E. Q.*; Zhang, H. D.*; “Direct Observation and Modeling of Transient Nucleation in Isothermal Thickening of Polymer Lamellar Crystal Monolayers” Macromolecules2009, 42, 2886–2890.

*Full publication list：http://www.ngpy.org/publications/