24小时热门版块排行榜     意得辑减200再送200,券码MUCH200

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                                                                      ifmc1234

                                                                      木虫 (著名写手)


                                                                      小木虫(金币+0.5):给个红包,谢谢回帖交流
                                                                      zzy870720z:呵呵,有些不懂,谅解 2010-12-23 16:26:47
                                                                      引用回帖:
                                                                      zzy870720z(金币+3):这个不太熟,看着好偏化学,也看不到发的文章,呵呵,这个少给一些吧 2010-12-22 23:02:40
                                                                      Originally posted by ifmc1234 at 2010-12-22 21:10:51:
                                                                      【老师

                                                                      这个是有点偏物理了。纯理论,物理理论功底相当深的牛人了。
                                                                      量子耗散动力学在化学中的应用。。。。
                                                                      51楼2010-12-23 11:02:07
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                                                                      ifmc1234

                                                                      木虫 (著名写手)

                                                                      ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
                                                                      小木虫(金币+0.5):给个红包,谢谢回帖交流
                                                                      zzy870720z(金币+10):谢谢分享,这些感觉都有解偏量化,最好是偏物力方面给的,咱们还有量化版,呵呵 2010-12-23 18:31:51
                                                                      引用回帖:
                                                                      小木虫(金币+0.5):给个红包,谢谢回帖交流
                                                                      zzy870720z:呵呵,有些不懂,谅解 2010-12-23 16:26:47

                                                                      Originally posted by ifmc1234 at 2010-12-23 11:02:07:

                                                                      这个是有点偏物理了。纯理论,物理理论功底相当深的牛人了。
                                                                      量子耗散动力学在化学中的应用。。。。

                                                                      他是牛人应该是不用怀疑的,哈哈
                                                                      Research Interests
                                                                        Theoretical chemical physics and quantum statistical dynamics, developing theories, models, and computational methods for a wide range of systems: Quantum dissipation and many-particle dynamics; Long-range charge transfer and quantum transport in complex molecular systems; Quantum optics and optical spectroscopy; Energy transfer in light harvesting systems; Optimal control of molecular dynamics by light; Chemical reaction dynamics in solutions; Quantum information and quantum measurement.

                                                                      Education
                                                                      Ph.D. (2/89):            Chemistry, University of Rochester, Rochester, NY.
                                                                          Advisor:               Professor Shaul Mukamel.
                                                                          Thesis:                  "Molecular Nonlinear Optical Line Shapes and Solvation Dynamics"
                                                                      B.S.  (1/82):             Chemistry, Fudan University, Shanghai, China

                                                                      再补充一个大牛。严以京教授的博士老师:Shaul Mukamel。
                                                                      【老师姓名】(必填):Shaul Mukamel
                                                                      【主页地址】(必填)http://mukamel.ps.uci.edu/
                                                                      【目前单位】(选填)  University of California
                                                                      【发表文章】(选填)很多,见http://mukamel.ps.uci.edu/publications.html

                                                                      Books

                                                                      Principles of Nonlinear Optics and Spectroscopy. New York: Oxford University Press (1995).
                                                                      Ultrafast Phenomena XII. Berlin: Springer (2000).
                                                                      Stochasticity and Intramolecular Redistribution of Energy. Dordrecht: D. Reidel (1987).

                                                                      Optical spectroscopy modeling package "SPECTRON".


                                                                      Sample Text
                                                                      52楼2010-12-23 18:21:28
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                                                                      ifmc1234

                                                                      木虫 (著名写手)

                                                                      ★ ★ ★ ★ ★ ★
                                                                      小木虫(金币+0.5):给个红包,谢谢回帖交流
                                                                      zzy870720z(金币+5):主页打不开,谢谢分享 2010-12-23 18:30:27
                                                                      【老师姓名】(必填)William A. Goddard, III
                                                                      【主页地址】(必填)http://www.wag.caltech.edu/home/wag/index.htm
                                                                      【目前单位】(选填)California Institute of Technology
                                                                      【发表文章】(选填)发挂网上894篇了
                                                                      http://www.wag.caltech.edu/publications/papers/

                                                                      Charles and Mary Ferkel Professor of Chemistry, Materials Science, and Applied Physics
                                                                      Director of Materials and Process Simulation Center (MSC)
                                                                      世界化学排名好像二十几(包括实验)
                                                                      53楼2010-12-23 18:27:02
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                                                                      dawnlight

                                                                      荣誉版主 (职业作家)

                                                                      小木虫小小版主


                                                                      小木虫(金币+0.5):给个红包,谢谢回帖交流
                                                                      看了下回复,一多半都认识,看来这个圈子说大不大,说小不小啊。我推荐几个大家的没有提及的熟人吧,以前做计算的时候曾经联系过这些人,都很热心的给我回复,也给提了一些很好的意见,非常感谢他们。

                                                                      回帖格式:
                                                                      【老师姓名】(必填):张绳百
                                                                      【主页地址】:(必填)http://rpi.edu/dept/phys/faculty/profiles/zhang-s.html
                                                                      【目前单位】(选填)Rensselaer Polytechnic Institute;以前在国家实验室。
                                                                      【发表文章】(选填)太多了,早期ZnO计算方面的开拓者吧。和老魏他们合作密切。单篇引用最高663(Phys. Rev. B 63, 075205 (2001))。

                                                                      现在也很感谢当时自己在摸索阶段的时候,他给予的帮助。09年的chinanano本想当面感谢,可是围着的人太多了,放弃了。O(∩_∩)O~
                                                                      姿曰:年轻会结束,在结束以前,把想做的事做完吧!
                                                                      54楼2011-04-06 19:14:57
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                                                                      dawnlight

                                                                      荣誉版主 (职业作家)

                                                                      小木虫小小版主


                                                                      小木虫(金币+0.5):给个红包,谢谢回帖交流
                                                                      【老师姓名】(必填):Chris G. Van de Walle
                                                                      【主页地址】:(必填)http://www.mrl.ucsb.edu/~vandewalle/
                                                                      【目前单位】(选填)UCSB。
                                                                      【发表文章】(选填)他的文章可以用车啦,不列举啦。例如引用过千的:Phys. Rev. B 39, 1871–1883 (1989) 。当时做了一个工作,觉得很有意义,结果被审稿人批的很惨,我怀疑那个审稿人是国内上面大家提到的某位,没办法人家太牛了,直接reject。不服气,我就让发信问Van de Walle ,支持了我的看法,并指出LDA+U是很多不物理。然后我再投,和审稿人来回争辩了几次,结果还是让编辑给拒掉了。虽然不服气,但是没办法,谁让人家是审稿人呢,自己觉得那个文章比以前投的那些强太多了,也许是赶上APL裁剪稿源吧。只从那以后在没投过APL,伤心啊。也许以后也不会了。
                                                                      总之Van de Walle对物理层面的理解给我印象很深。
                                                                      姿曰:年轻会结束,在结束以前,把想做的事做完吧!
                                                                      55楼2011-04-06 19:24:37
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                                                                      dawnlight

                                                                      荣誉版主 (职业作家)

                                                                      小木虫小小版主

                                                                      ★ ★ ★
                                                                      小木虫(金币+0.5):给个红包,谢谢回帖交流
                                                                      zzy870720z(金币+2): 谢谢分享,活动结束了,呵呵,不过给少许奖励吧 2011-04-06 21:40:34
                                                                      【老师姓名】(必填):Mike Payne
                                                                      【主页地址】:(必填)http://www.tcm.phy.cam.ac.uk/~mcp1/
                                                                      【目前单位】(选填)剑桥大学。
                                                                      【发表文章】(选填)一句话,他编写了CASTEP。每次写信问东西必回,好人那。
                                                                      姿曰:年轻会结束,在结束以前,把想做的事做完吧!
                                                                      56楼2011-04-06 19:29:39
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                                                                      06022043

                                                                      铁杆木虫 (著名写手)


                                                                      小木虫(金币+0.5):给个红包,谢谢回帖
                                                                      【老师姓名】(必填):王渊旭
                                                                      【主页地址】:(必填)http://218.196.194.154/
                                                                      【目前单位】(选填)河南大学物理与电子学院
                                                                      【发表文章】(选填)   1.

                                                                            Yue Li, Gao Feng Zhao*, Zhi Zeng, Yuan Xu Wang, The structural and electronic properties of Li-doped fluorinated graphene and its application for hydrogen storage, International Journal of Hydrogen Energy (accepted)
                                                                         2.

                                                                            Yu Li Yan and Yuan Xu Wang*, Electronic structure and low temperature thermoelectric properties of In24M8O48 (M=Ge4+, Sn4+, Ti4+ and Zr4+), Journal of Computational Chemistry 33, 88-92 (2012) PDF
                                                                         3.

                                                                            Xiang Po Du, V. C. Lo, Yuan Xu Wang*, The effect of structure and phase transformation on the mechanical properties of Re2N and the stability of Mn2N, Journal of Computational Chemistry 33, 18-24 (2012)PDF
                                                                         4.

                                                                            Bing Wang, Xiang Li, Yuan Xu Wang*, and Yu Fei Tu, Phase Stability and Physical Properties of Manganese Borides: A First-Principles Study, Journal of Physical Chemistry C 115, 21429-21435 (2011)PDF
                                                                         5.

                                                                            Yun Geng Zhang and Yuan Xu Wang*, A computational study of N, Ce, and Ce+N doping of anatase TiO2 indicating improved photoelectrochemical performance, Journal of Applied Physics 110, 033519 (2011)PDF
                                                                         6.

                                                                            Bin Xu, Yuan Xu Wang*, Wen Jie Zhao, and Yu Li Yan, Thermoelectric properties of Heusler-type compound Fe2V1-xNbxAl, Journal of Applied Physics 110, 013530 (2011)PDF
                                                                         7.

                                                                            Xinying Li* and Xue Cao, Nature of M-Ng interaction in the MNg (4) (2+) (M = Cu, Ag and Au; Ng = He and Ne) molecules: ab initio calculations, EUROPEAN PHYSICAL JOURNAL D 64, 221-225 (2011)
                                                                         8.

                                                                            Xinying Li* and Xue Cao, Interaction and Electron Density Properties of MKr(4)(2+) (M = Cu, Ag and Au): ab initio Calculation, AUSTRALIAN JOURNAL OF CHEMISTRY 64, 339-344 (2011)
                                                                         9.

                                                                            Yu Li Yan and Yuan Xu Wang*, Crystal structure, electronic structure, and thermoelectric properties of Ca5Al2Sb6, Journal of Materials Chemistry 21, 12497-12502 (2011)PDF
                                                                        10.

                                                                            Qun Jing, Hai-bin Cao, Gui-xian Ge, Yuan Xu Wang*, Hong-xia Yan, Zi-ying Zhang, Yun-hu Liu, Giant magnetic moment of the core-shell Co13@Mn20 clusters: First-principles calculations, Journal of Computational Chemistry 32 (11), 2474-2478 (2011) PDF
                                                                        11.

                                                                            Xiang Li, Xiang Po Du, and Yuan Xu Wang*, The Structural, Mechanical Stability, and Physical Properties of Iridium Carbides with Various Stoichiometries: First-Principles Investigations, Journal of Physical Chemistry C 115, 6948-6953 (2011)PDF
                                                                        12.

                                                                            Yun Geng Zhang and Yuan Xu Wang*, Density-functional study of the electronic structure and optical properties of transparent conducting oxides In4Sn3O12 and In4Ge3O12, Journal of Electronic Materials 40 (7), 1501-1505 (2011)PDF
                                                                        13.

                                                                            Tai-gang Liu, Gao-feng Zhao*, and Yuan-xu Wang, Structural, electronic and magnetic properties of GdSin (n=1-17) clusters: A density functional study, Physics Letters A 375, 1120-1127 (2011)
                                                                        14.

                                                                            Wen Jie Zhao, Yuan Xu Wang*, Geometries, stabilities, and electronic properties of YnSi (n= 2-14) clustersensity-functional theory investigations, Computational Materials Science 50, 2167-2171 (2011)PDF
                                                                        15.

                                                                            Yungeng Zhang, Guangbiao Zhang, and Yuan Xu Wang*, First-principles study of the electronic structure and optical properties of Ce-doped ZnO, Journal of Applied Physics 109, No. 6, 063510 (2011)PDF
                                                                        16.

                                                                            Feng Zhu Ren and Yuan Xu Wang*, Pressure-induced phase transition of tantalum mononitride, Thin Solid Films 519, 3954-3958 (2011)PDF.
                                                                        17.

                                                                            Xiang Po Du, Yuan Xu Wang*, and V.C. Lo, Vacancy and Oxygen Substitution for Nitrogen Induced Structural Stability of Ta2N3, Journal of Physical Chemistry C 115, 3129-3135 (2011)PDF.
                                                                        18.

                                                                            Wen Jie Zhao and Yuan Xu Wang*, Mechanical properties of superhard diamondlike BC5, Solid State Communications 151, 478-481 (2011)PDF.
                                                                        19.

                                                                            宋清焕,李翔,王渊旭*,过渡金属硼化物RuB和TcB的晶体结构、弹性及电子结构的第一性原理研究,河南大学学报41(5),460PDF
                                                                        20.

                                                                            白燕枝, 赵高峰*, 沈学锋, 孙建敏, 王渊旭, TbSin(n=2-13)团簇的结构、电子及磁学性质,物理化学学报 27, No. 1, 39-46 (2011)PDF.
                                                                        21.

                                                                            赵高峰*,向兵,沈学锋, 孙建敏, 王渊旭,氧化镐小团簇稳定性,物理化学学报 27, No. 5, 1095-1102 (2011)
                                                                        22.

                                                                            Yu Fei Tu and Yuan Xu Wang*, First-principles study of the elastic properties of OsxW1-xB2 and RexW1-xB2 alloys, Solid State Communications 151, No. 3, 238-241 (2011)PDF.
                                                                        23.

                                                                            Hong Bin Xu, Yuan Xu Wang*, and V.C. Lo, First-principles study of CrB4 as a high shear modulus compounds, Physica Status Solidi (RRL)-Rapid Research Letters 5, No. 1, 13-15 (2011)PDF.
                                                                        24.

                                                                            Yu Li Yan and Yuan Xu Wang*, Electronic structure and thermoelectric properties of In32-xGexO48 (x = 0, 1, 2, and 3) at low temperature, Applied Physics Letters 97, 252106 (2010)PDF.
                                                                        25.

                                                                            Xiang Po Du, Yuan Xu Wang*, and V.C. Lo, Investigation of tetragonal ReN2 and WN2 with high shear moduli from first-principles calculations, Physics Letters A 374, 2569-2574 (2010)PDF.
                                                                        26.

                                                                            Hong Bin Xu, Yuan Xu Wang*, and V.C. Lo, First-principles study of the structural, elastic, and electronic properties of C20, C12B8, and C12N8, Journal of Physics: Condensed Matter 22, 175505 (2010)PDF .
                                                                        27.

                                                                            Fu-Yang Tian, Yuan-Xu Wang*, V.C. Lo, and Jiang Shen, An ab initio investigation of boron nanotube in ringlike cluster form, Applied Physics Letters 96, 131901 (2010)PDF
                                                                        28.

                                                                            Fengzhu Ren, Yuanxu Wang*, and V. C. Lo, Pressure induced structural phase transition of OsB2: First-principles calculations, Journal of Solid State Chemistry 183, 915 (2010)PDF
                                                                        29.

                                                                            Xiang Po Du and Yuan Xu Wang*, Investigation of osmium carbides with various stoichiometries: First-principles calculations, Journal of Applied Physics 107, 053506 (2010)PDF
                                                                        30.

                                                                            Fu Yang Tian, Jiang Shen, Yuan Xu Wang*, Density Functional Study of CO Adsorbed on MnN (N=2-8) Clusters, Journal of Physical Chemistry A 114, 1616 (2010)PDF
                                                                        31.

                                                                            杨天兴,成强,许红彬,王渊旭,几种过渡金属碳化物弹性及电子结构的第一性原理研究,物理学报 59,4919-4924 (2010)PDF
                                                                        32.

                                                                            杜香坡,王渊旭,TaC结构、弹性、硬度和电子结构的第一性原理研究,河南大学学报 40, 130 (2010)PDF
                                                                        33.

                                                                            Zhao Wen-Jie, WANG Yuan-Xu, Prediction of a superhard material of ReN4 with a high shear modulus, Chinese Physics B 19, 016201 (2010)PDF
                                                                        34.

                                                                            Fu-Yang Tian and Yuan-Xu Wang, Adjusting magnetic moments of Sc13 and Y13 clusters by doping different X atom (X=Na, Mg, Al, Si, P), International Journal of Quantum Chemistry 110, 1573-1582 (2010)PDF
                                                                        35.

                                                                            Lu Song and Yuan-Xu Wang, First-principles study of W, WN, WN2, and WN3, Physica Status Solidi B 247, 54-58 (2010)PDF
                                                                        36.

                                                                            Gao-feng Zhao, Jian-min Sun, Yu-zong Gu, and Yuan-xu Wang, Density-functional study of structural, electronic, and magnetic properties of the EuSin clusters, Journal of Chemical Physics 131, 114312 (2009) PDF
                                                                        37.

                                                                            Wen Jie Zhao, Hong Bin Xu, and Yuan Xu Wang, A hard semiconductor OsN4 with high elastic constant c44, Physica Status Solidi (RRL)-Rapid Research Letters 3, 272 (2009)PDF
                                                                        38.

                                                                            Xiang Po Du and Yuan Xu Wang, Ab inito study of Os0.5W0.5B2, Re0.5W0.5B2, and Os0.5Re0.5B2 with high shear modulus, Physica Status Solidi (RRL)-Rapid Research Letters, 3, 106 (2009)PDF
                                                                        39.

                                                                            Wen-Jie Zhao , Yuan-Xu Wang, Structural, mechanical, and electronic properties TaB2, TaB, IrB2, and IrB: First-principle calculations, Journal of Solid State Chemistry 182, 2880(2009)PDF
                                                                        40.

                                                                            Ren Feng-Zhu, WANG Yuan-Xu, Zhang Guang-Biao, Pressure-Induced Phase Transition of Ruthenium Diboride, Chinese Physics Letters, 26, 016102(2009) PDF
                                                                        41.

                                                                            WANG Yuan-Xu, Giant Static Dielectric Constant of Strained PbTiO3, Chinese Physics Letters, 26, 016801(2009)PDF
                                                                        42.

                                                                            许红彬,王渊旭,过渡金属Tc及其氮化物TcN, TcN2, TcN3, TcN4低压缩性的第一性原理研究,物理学报 58, 5645(2009)PDF
                                                                        43.

                                                                            NI Guang-Xin, WANG Yuan-Xu, First-principles study of the (001) surface of cubic PbHfO3 and BaHfO3, Chinese Physics B 18, 1194 (2009)PDF
                                                                        44.

                                                                            Zhao Wen-Jie, WANG Yuan-Xu, Elastic stability and electronic structure of low energy tetragonal and monoclinic PdN2 and PtN2, Chinese Physics B 18, 3934 (2009)PDF
                                                                        45.

                                                                            REN Feng-Zhu, WANG Yuan-Xu, ZHANG Guang-Biao, Wei Shu-Ke, LUO You-hua, An ab initio study of the niobium clusters (n=1-12): Structure, Stability, and magnetism, Chinese Physics B, 18, 1491 (2009)PDF
                                                                        46.

                                                                            Wen-Jie Zhao and Yuan-Xu Wang, Geometries, stabilities, and electronic properties of MnGen (n=9-16) clusters: Density-functional theory investigations, Journal of Molecular Structure: THEOCHEM, 901 (2009) 18-23PDF
                                                                        47.

                                                                            Z.J. Chen, X.T. Zu, Y.X. Wang, and S.W. Xue, Electronic and optical properties of pure and Ce3+-doped MgS single crystal: A first-principles prediction, Journal of Applied Physics, 105 (2009) 063532PDF
                                                                        48.

                                                                            Wen-Jie Zhao and Yuan-Xu Wang, Geometries, stabilities, and electronic properties of FeGen (n=9-16) clusters: Density-functional theory investigations, Chemical Physics, 352, 291 (2008) PDF
                                                                        49.

                                                                            Fu-Yang Tian and Yuan-Xu Wang, The competition of double-, four-, and three-ring tubular B3n (n=8-32) nannoclusters, Journal of Chemical Physics, 129, 024903 (2008) PDF
                                                                        50.

                                                                            Yuan Xu Wang, Ultra-incompressible and hard technetium carbide and rhenium carbide: First-principles prediction, Physica Status Solidi (RRL)-Rapid Research Letters, 2, 126 (2008)PDF
                                                                        51.

                                                                            Jiang-Gang Yao, Xian-Wei Wang , Yuan-Xu Wang, A theoretical study on structural and electronic properties of Zr-doped B clusters: ZrBn (n=1-12) , Chemical Physics, 351, 1-6(2008)PDF
                                                                        52.

                                                                            Qun Jing, Fu-yang Tian, Yuan-xu Wang, No quenching of magnetic moment of the GenCo (n-1-13) clusters : First-principles calculations, Journal of Chemical Physics, 128, 124319 (2008)PDF
                                                                        53.

                                                                            Fu-Yang Tian, Qun Jing, Yuan-Xu Wang, Structure, stability, and magnetism of ScnAl(n=1-8,12) clusters: Density-functional theory investigation, Physical Review A, 77, 013202 (2008)PDF
                                                                        54.

                                                                            Yuan Xu Wang, First-principles study of the (001) surface of cubic Ba0.5Sr0.5TiO3, Physica Status Solidi (b) ,245 (2008) 1147
                                                                        55.

                                                                            姚建刚,王献伟,王渊旭,井群,罗有华,NiMgn(n=1—12)团簇的第一性原理研究,物理学报, 57 (7), 4166-4173 (2008)
                                                                        56.

                                                                            任凤竹,王渊旭,田付阳,赵文杰,罗有华, 密度泛函理论研究ZrnCo(n=1-13)团簇的结构和磁性,物理学报, 57(4), 2165-2173 (2008)
                                                                        57.

                                                                            田付阳,田凯,王渊旭,井群,罗有华, 第一性原理对XMgn( X=B, Al, n=1-12) 团簇的几何结构和电子性质的研究,物理学报, 57, 1648 (2008).
                                                                        58.

                                                                            姚建刚,王献伟,井群,王渊旭, Al2BeN团簇最低能量结构的稳定性和电子特性的密度泛函理论研究,原子与分子物理学报,25(2008)308
                                                                        59.

                                                                            赵文杰,闫玉丽,王渊旭,密度泛函理论研究BenNa(n=2-14)团簇的结构及其电子性质,原子与分子物理学报,25(2008) 33 PDF
                                                                        60.

                                                                            Hai-Quan Hu, Heng-Shuai Li, Yuan-Xu Wang, and Zhong-min Ren, Theoretical study of magnetism and electronic structure of Fe3/Crn(110) superlattices, Physica B, 403, 532 (2008) PDF
                                                                        61.

                                                                            Yuan Xu Wang and Masao Arai, First-principles study of the (001) surface of cubic SrZrO3, Surface Science, 601 (2007) 4092 PDF
                                                                        62.

                                                                            Yuan Xu Wang, Elastic and electronic properties of TcB2 and superhard ReB2, Applied Physics Letters, 91 (2007)101904 PDF
                                                                        63.

                                                                            Yuan Xu Wang,Masao Arai, Taizo Sasaki, and Chang Zeng Fan, Ab initio study of monoclinic iridium nitride as a high bulk modulus compound, Physical Review B, 75(2007)104110 PDF
                                                                        64.

                                                                            Yuan Xu Wang,Masao Arai, and Taizo Sasaki, Marcasite osmium nitride with high bulk modulus:First-principles calculations, Applied Physics Letters, 90(2007)061992 PDF
                                                                        65. Yuan Xu Wang, Surface properties of the (001) surface of cubic PbZrO3 and PbTiO3, Physica Status Solidi (b), 244 (2007) 602
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                                                                      tian2329

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