| 查看: 6441 | 回复: 83 | |||
| 当前主题已经存档。 | |||
| 当前只显示满足指定条件的回帖，点击这里查看本话题的所有回帖 | |||
csfn荣誉版主 (知名作家)
|
[交流]
★★★★★【聚焦计算导师或博士】 ★★★★★
|
||
[ Last edited by csfn on 2008-11-20 at 17:32 ] |
回复此楼» 猜你喜欢
PRB投稿，Acknowledgment sent to author状态十天了
已经有3人回复
-
PVA溶解
已经有2人回复
-
物理学I论文润色/翻译怎么收费?
已经有193人回复
-
基金申请
已经有44人回复
-
CSC与新西兰维多利亚大学PhD奖学金项目
已经有0人回复
-
新西兰Robinson研究所 招聘CSC公派访问人员
已经有0人回复
-
帮我的英语口语老师找学生
已经有0人回复
-
什么时候开奖？
已经有13人回复
-
散金币祈福
已经有94人回复
-
青基已中
已经有1人回复
fqgzl
木虫 (正式写手)
- 应助: 3 (幼儿园)
- 金币: 4024.4
- 散金: 200
- 帖子: 425
- 在线: 766.3小时
- 虫号: 122559
- 注册: 2005-12-04
- 专业: 高分子材料的加工与成型
★ ★ ★ ★ ★ ★ ★
csfn(金币+7,VIP+0):谢谢~~，元旦快乐
csfn(金币+7,VIP+0):谢谢~~，元旦快乐
|
【老师/博士姓名】梁好均教授 【研究方向】1. 高分子凝聚态物理理论计算与模拟2. 生物信息学 【使用程序】MC, MD, DPD, SCFT, DDFT等方法 【所在单位】中国科学技术大学高分子科学与工程系 【联系方式】Tel: 0551-3607824 (Office) 0551-3600240 (Lab) E-mail: hjliang@ustc.edu.cn 【单位&个人主页】http://polymer.ustc.edu.cn/lhj-cn.htm 【简介】基本简历及科研介绍 梁好均，1963年5月生于吉林。84年7月毕业于东北师范大学物理系；90年12月于长春应用化学研究所获博士学位。91 – 98年中国石油辽阳石油化工高等专科学校讲师、副教授；98 - 02年中国科学技术大学副教授；2002年中国科学技术大学教授。99. 12 – 00. 8月香港中文大学化学系访问学者；00. 12 – 01. 9英国Loughborough 大学材料系访问学者；03. 9 - 11美国SUNY Buffalo大学生物物理系访问学者。第十、十一届国家自然科学基金委高分子科学部评审专家；国家杰出青年基金获得者。 承担项目 1．杂链大分子折叠、设计和自组装机理的研究: 国家杰出青年基金 2．聚烯烃的多重结构及其高性能化的基础研究: 973国家重点基础研究发展计划 3．聚合物微观、介观和宏观性质的理论与模拟: 国家自然科学基金重大项目子课题 4．溶剂挥发诱导下的自组装行为: 理论物理学及交叉科学重大研究计划面上项目 5．梳形嵌段聚合物组装行为: 高等学校博士点专项基金 近期代表性论文 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 |
27楼2007-12-30 08:08:53
3楼2007-12-29 10:56:03
fegg7502
荣誉版主 (知名作家)
无
- 计算强帖: 5
- 应助: 20 (小学生)
- 贵宾: 13.133
- 金币: 18822.8
- 散金: 2753
- 红花: 31
- 沙发: 13
- 帖子: 7489
- 在线: 591.3小时
- 虫号: 352334
- 注册: 2007-04-22
- 性别: GG
- 专业: 催化化学
- 管辖: 第一性原理
★ ★ ★ ★ ★ ★
csfn(金币+6,VIP+0):Thanks~辛苦了
csfn(金币+6,VIP+0):Thanks~辛苦了
|
【老师/博士姓名】焦海军 【研究方向】事量子化学 【使用程序】DMOL,VASP,CASTEP,高斯 【所在单位】中国科学院山西煤炭化学研究所 【联系方式】 【单位&个人主页】http://www.sxicc.ac.cn/dispnews.asp?id=488 【简介】男， 1963年11月生，1985年毕业于山西师范大学化学系化学专业，获理学学士学位，1987年赴德国Erlangen-Nuremberg有机化学研究所留学，1992年获得理学硕士学位，1995年获得理学博士学位。毕业后在该所工作至2000年，随后赴法国国家科学研究中心固体材料研究所合作研究， 2001年返回德国，在Rostock大学工作。现为中国科学院山西煤炭化学研究所博士生导师。 焦海军博士多年来一直从事量子化学研究，在反应机理与过渡态、芳香性、过渡金属催化剂研究与新型材料设计方面有相当的积累，并与实验研究的最新结果密切结合，取得了一系列很有价值的研究成果，近年来在 J.Am.Chem.Soc.、Angew.Chem.Int.Ed. 等国际著名学术刊物发表论文140余篇。一、主要研究领域 采用量子化学方法研究有机反应机理、有机化合物芳香性、过渡金属化合物结构性能及新型材料的设计等。 二、主要代表著作 [01] CO2 Reforming of CH4 on Ni(111): A Density Functional Theory Calculation. Wang, S.-G.; Cao, D.-B.; Li, Y.-W.; Wang, J.; Jiao, H. J. Phys. Chem. B 2006, 110, 9976-9983. [02] Hydroformylation and Isomerization of Allene and Propyne: A Density Functional Theory Study. Huo, C.-F.; Li, Y.-W.; Beller, M.; Jiao, H. Chem. Eur. J. 2005, 11, 889-902. [03] Density Functional Theory Study of Hydrogen Adsorption on Fe5C2(001), Fe5C2(110), and Fe5C2(100). Cao, D.-B.; Zhang, F.-Q.; Li, Y.-W.; Wang, J.; Jiao, H. J. Phys. Chem. B 2005, 109, 833-844. [04] Density Functional Theory Study of CO Adsorption on Molybdenum Sulfide. Zeng, T.; Wen, X.-D.; Wu, G.-S.; Li, Y.-W.; Jiao, H. J. Phys. Chem. B 2005, 109, 2846-2854. [05] Theoretical ONIOM2 Study On Pyridine Adsorptions in the Channels and Intersection of ZSM-5. Yuan, S. P.; Shi, W.; Li, B.; Wang, J.; Jiao, H. Li, Y.-W. J. Phys. Chem. A 2005, 109, 2594-2601. [06] Structures and Energies of Coadsorbed CO and H2 on Fe5C2(001), Fe5C2(110) and Fe5C2(100). Cao, D.-B.; Zhang, F.-Q.; Li, Y.-W.; Wang, J.; Jiao, H. J. Phys. Chem. B 2005, 109, 10922-10935. [07] Surface Structure and Energetics of Hydrogen Adsorption on the Fe(111) Surface. Huo, C.-F.; Li, Y.-W.; Wang, J.; Jiao, H. J. Phys. Chem. B 2005, 109, 14160-14167. [08] Surface Structure and Stability of MoSx Model Clusters. Wen, X.-D.; Zeng, T.; Li, Y.-W.; Wang, J.; Jiao, H. J. Phys. Chem. B 2005, 109, 18491-18499. [09] Chemisorption of CO2 on Nickel Surfaces. Wang, S.-G.; Cao, D.-B.; Li, Y.-W.; Wang, J.; Jiao, H. J. Phys. Chem. B 2005, 109, 18956-18963. [10] Switching End-on into Side-on C≡N Coordination: A Computational Approach. Huo, C.-F.; Zeng, T.; Li, Y.-W.; Beller, M.; Jiao, H. Organometallics 2005, 24, 6037-6042. [11] Surface Structure and Energetics of Oxygen and CO Adsorption on α-Mo(0001). Ren, J.; Huo, C.-F.; Wang, J.; Li, Y.-W.; Jiao, H. Surf. Sci. 2005, 596, 212-221. [12] Catalyzed Chemoselective Hydrogenation of Acrolein. Density Functional Studies. Huo, C.-F.; Li, Y.-W.; Beller, M.; Jiao, H. Organometallic 2004, 23, 2168-2178. [13] Adsorptions of Ni8 Clusters on the Regular and Defect Sites of the MgO (001) Surface. Wang, S.-G.; Li, Y.-W.; Jiao, H.; Lu, J.-X.; He, M.-Y. J. Phys. Chem. B 2004, 108, 8359-8363. [14] Density Functional Theory Study of CO Adsorption on Fe5C2(001), -(100), and -110) Surfaces. Cao, D.-B.; Zhang, F.-Q.; Li, Y.-W.; Jiao, H. J. Phys. Chem. B 2004, 108, 9094-9104. [15] The Structure and Possible Catalytic Sites of Mo3S9 as A Model of Amorphous Molybdenum Trisulfide: A Computational Study. Jiao, H.; Li, Y.-W.; Delmon, B.; Halet, J.-F. J. Am. Chem. Soc. 2001, 123, 7334-7339. |
4楼2007-12-29 11:04:06
hutaiqiu1982
金虫 (著名写手)
暂时离开
- 应助: 0 (幼儿园)
- 金币: 1325.7
- 散金: 338
- 帖子: 1827
- 在线: 21.6小时
- 虫号: 362505
- 注册: 2007-05-05
- 性别: GG
- 专业: 结构化学
5楼2007-12-29 15:33:47
10