主講：本科生課程《高分子鏈構(gòu)象統(tǒng)計(jì)理論》；研究生課程《高分子凝聚態(tài)物理》

1. 高分子凝聚態(tài)物理理論計(jì)算與模擬

2. 生物信息學(xué)

采用理論計(jì)算和模擬方法研究如下問題

1. 蛋白質(zhì)與蛋白質(zhì)、DNA、合成大分子及有機(jī)分子間相互作用

2. 多肽、合成大分子及有機(jī)小分子藥物設(shè)計(jì)

3. 雜鏈大分子及蛋白質(zhì)單鏈折疊和設(shè)計(jì)

4. 大分子粗粒化模型建立及多尺度模擬

5. 雜鏈大分子及蛋白質(zhì)在熔體、溶液狀態(tài)下組裝及聚集

目前采用的手段包括：MC, MD, DPD, SCFT, DDFT等方法。

1．雜鏈大分子折疊、設(shè)計(jì)和自組裝機(jī)理的研究: 國(guó)家杰出青年基金

2．聚烯烴的多重結(jié)構(gòu)及其高性能化的基礎(chǔ)研究: 973國(guó)家重點(diǎn)基礎(chǔ)研究發(fā)展計(jì)劃

3．聚合物微觀、介觀和宏觀性質(zhì)的理論與模擬: 國(guó)家自然科學(xué)基金重大項(xiàng)目子課題

4．溶劑揮發(fā)誘導(dǎo)下的自組裝行為: 理論物理學(xué)及交叉科學(xué)重大研究計(jì)劃面上項(xiàng)目

5．梳形嵌段聚合物組裝行為: 高等學(xué)校博士點(diǎn)專項(xiàng)基金

1、Li, X. J.; Kou, D. Z.; Rao, S. L.; Liang, H. J. Developing a coarse-grained force field for the diblock copolymer poly(styrene-b-butadiene) from atomistic simulation. J. Chem. Phys. 2006, 124, 204909

2.Chen, P.; He, X. H.; Liang, H. J. Effect of surface field on the morphology of a symmetric diblock copolymer under cylindrical confinement. J. Chem. Phys. 2006, 124, 104906.

3.Chen, P.; Liang, H. J. Monte Carlo simulations of cylinder-forming ABC triblock terpolymer thin films. J. Phys. Chem. B 2006, 110, 18212.

4.Kou, D. Z.; Liang, H. J. Microstructures from a Mixture of ABC 3-Miktoarm Star Terpolymers and Homopolymers. J. Phys. Chem. B 2006, 110, 23557.

5.Huang, R.; Jiang, Y.; Liang, H. J. Effect of architecture on the tensile properties of triblock copolymers in a lamellar phase. ChemPhysChem 2006, 7, 1950.

6、Li, X.; Jiang, Y.; Li, Y. C.; Liang, H. J. Influence of electric field on the phase transitions of the hexagonal cylinder phase of diblock copolymers. ChemPhysChem 2006, 7, 1693

7.Huang, L.; Ma, X. J.; Liang, H. J. What is the origin of those common structures of protein-model chains? Polymer 2006, 47, 1755

8.Jiang Y, Huang R.; Liang HJ Effect of polydispersity on the tensile modulus of diblock copolymers in a lamellar phase J. Chem. Phys. 2005, 123, 124906

9.Jiang Y, Zhu JT, Jiang W & Liang HJ Cornucopian cylindrical aggregate morphologies from self-assembly of amphiphilic triblock copolymer in selective media J. Phys. Chem. B 2005, 109, 21549

10.Zhu JT, Jiang Y, Liang HJ & Jiang W Self-assembly of ABA amphiphilic triblock copolymers into vesicles in dilute solution J. Phys. Chem. B. 2005, 109, 8619

11.Jiang Y, Yan XY, Liang HJ & Shi AC Effect of polydispersity on the phase diagrams of linear ABC triblock copolymers in two dimensions J. Phys. Chem. B 2005, 109, 21047

12.Jiang Y, Liang HJ & Shi AC Effect of polydispersity on the formation of vesicles from amphiphilic diblock copolymers Macromolecules 2005, 38, 6710

13、Li XJ, Huang L & Liang HJ Developing coarse-grained force fields for cis-poly(1,4-butadiene) from the atomistic simulation Polymer 2005, 46, 6507

14.Sun DC, Huang L & Liang HJ Unstable inverted phases of di- and tri-block copolymers on solution-casting films Macromolecules Research 2005, 13, 152

15、Lu T, He XH & Liang HJ Ordered Microstructures by assembly of ABC 3-miktoarm star terpolymers and linear hompolymers J. Chem. Phys. 2004, 121, 9702

16.Xu BS, Huang L & Liang HJ Thermodynamic behaviors of polyampholytes at low temperatures J. Chem. Phys. 2004, 121, 7494

17.He XH, Liang HJ, Huang L & Pan CY Complex microstructures of amiphiphilic diblock copolymer in dilute solution J. Phys. Chem. B 2004, 108, 1731

18.Dai B, Song M, Hourston DJ, He XH, Liang HJ & Pan CY Influence of block lengths and symmetries of block copolymers on phase behavior of polymer A/polymer B/block copolymer ternary blends Polymer, 2004, 45 1019

19. Huang L, He XH, He TB & Liang HJ A cunning strategy in design of polymeric nanomaterials with novel microstructures J. Chem. Phys. 2003, 119, 12479

20. Huang L, Xe XH, Wang YY, Chen HN & Liang HJ Phase transition of short chains at ultra low temperature J. Chem. Phys. 2003, 119, 2432

21. He XH, Huang L, Liang HJ & Pan CY Localizations of junction points of ABC 3-miktoarm star terpolymers J. Chem. Phys. 2003, 118, 9861

22. He XH, Liang HJ & Pan CY Self-condensing vinyl polymerization in the presence of multifunctional initiator with unequal rate constants: Monte Carlo simulation Polymer 2003, 44, 6697

23. Huang L, He XH, Huang LS & Liang HJ Computer simulationon the self-assembly of associating polymers Polymer 2003, 44, 1967

24. He XH, Huang L, Liang HJ & Pan CY Self-assebly of star block copolymers by dynamic density functional theory J. Chem. Phys. 2002, 116, 10508

25. Liang HJ & Wang YY Influence of monomer types on the designability of a protein-model chain Chin. Phys. Lett. 2002, 19, 1382

26. He XH, Liang HJ, Song M & Pan CY Possibility of design of nanodevices by confined macromolecular self-assembly Macromol. Theor Simul. 2002, 11, 379

27. Wang YU, Chen HN, Liang HJ Monte Carlo simulation on the thermodynamic properties of a heteropolymer chain J. Chem. Phys. 2001, 115, 3951

28. He XH, Song M, Liang HJ & Pan CY Self-assembly of the symmetric diblock copolymer in a confined state: Monte Carlo simulation. J. Chem. Phys. 2001,114, 10510

29. He XH, Liang HJ & Pan CY Monte Carlo simulation of morphologies of self-assembled amphiphilic diblock copolymer in solution. Phys. Rev. E 2001, 63, 031804

30. He XH, Liang HJ & Pan CY Monte Carlo simulation of hyperbranched copolymerizations in the presence of a multifunctional initiator Macromol. Theor Simul. 2001, 10, 196

31. Liang HJ, Jiang W & He XH Monte Carlo simulation of pulsed-laser polymerization in emulsion Eur. Polym. J. 2000, 6, 2527

32. Liang HJ & Chen HN First-order transition of a homopolymer chain with Lennard-Jones potential J. Chem. Phys. 2000, 113, 4469

33. Liang HJ Designability of a protein chain in an off-lattice heteropolymer model J. Chem. Phys. 2000, 113, 4827

34. Liang HJ, Li FH & He XH Monte Carlo simulation for the modification of polymer via grafting Eur. Polym. J. 2000, 36, 1613

35. Liang HJ Observation of the molten globule state in a Monte Carlo simulation of the coil-to-globule transition of a homopolymer chain. J. Chem. Phys. 1999, 110, 10212

36. Liang HJ Compatibility of triblock copolymers in an A/B/copolymer ternary mixture Macromolecules 1999, 32, 8204

37. Liang HJ, He, XH, Jiang W & Jiang B. Monte Carlo simulation of phase separation of the A/B/A-B ternary mixture Macromol. Theory Simul. 1999, 8, 173