![王志剛[吉林大學原子與分子物理研究所]](/img/1/5c4/nBnauM3XzgTNzcTMzEDMyMDN0UTMyITNykTO0EDMwAjMwUzLxAzL0AzLt92YucmbvRWdo5Cd0FmLyE2LvoDc0RHa.jpg "王志剛[吉林大學原子與分子物理研究所]")
研究工作
以量子力學、分子力學，以及二者相結合的（QM/MM）方法，進行複雜分子系統中的相互作用研究工作，這不僅是分子物理理論研究的重要內容，同時緊密相關於物理學與生命科學、材料科學間的學科交叉，以及原子分子物理與物理學的其它科研方向相交叉的研究。王志剛教授所領導的研究組在限域誘導金屬納米尺度系統的電子自旋極化，環境影響的分子構象轉變，分子間吸附作用的電子結構等科學問題研究中，於原子層次上做出了一些創新工作。發展了相關的理論研究方法，包括發展了適用於自旋極化密度泛函研究的基組選擇方案和電荷布居分析方法，提出了基於分子動力學模擬來搜尋分子間相互作用勢能面極值點的統計方法，乃至發展了一系列適用於複雜體系性質模擬研究的參數勢方法等方面。
“複雜分子系統中的相互作用”方向具體主要包括三個方面研究內容：
1）不飽和價電子誘導的分子體系自旋極化研究
主要包括：由sp價電子引起的系統自旋極化特性；高角動量的f價殼層電子與sp價電子、ds價電子的作用特性。
2）分子間相互作用的電子結構研究
主要包括：氫鍵的類共價特性問題，堆垛的電子結構問題，一般范德華(vd W)相互作用的原子層次再認識等問題。
3）相關於以上兩個方面的方法學研究
主要包括：發展適用於電子自旋極化研究的分析方法，發展適合於複雜體系的動力學和勢能面模擬的新方法等。此部分，融入到前兩方面開展具體工作。
在相關的問題研究中於Adv. Theory Simul.,Nano Research, Nanoscale, Chem. Eur. J.,J. Am. Chem. Soc., Phys. Rev. Lett.等SCI檢索期刊發表論文90餘篇，其中包括第一作者和通訊作者論文60餘篇，多篇被選為研究亮點或被新聞媒體轉載報導，受邀撰寫超原子系統自旋極化理論研究綜述2篇，撰寫氫鍵的電子關聯特性研究綜述1篇。以第一責任人獲得王寬誠博士後工作獎（K. C.Wong Education Foundation, Hong Kong, China）、省自然科學學術成果二、三等獎、吉林省高校科研春苗人才（首屆），以及霍英東青年教師基金。
主持國家重大科技專項、國家基礎科研挑戰計畫、國家自然科學基金（青年，青年-面上連續資助，面上）、吉林省中青年科技領軍人才及團隊項目在內的多個研究課題。所有指導學生完成的科研論文，學生均為第一作者。所培養的研究生，目前已有2人獲得吉林省優秀博士學位論文（包括本專業的首個省級優秀博士學位論文），2人獲得省級優秀碩士學位論文（包括本專業的首個省級優秀碩士學位論文），6人獲得吉林大學優秀博士、碩士學位論文。多人獲得國家獎學金，多人獲得吉林大學研究生“精英杯”學術成果大獎賽一、二、三等獎等獎項，多人獲得優秀研究生、優秀畢業研究生等稱號。竭誠歡迎有志於相關研究方向的同學加入！
主要論著
科研進展貢獻（*通訊作者，△並列一作）：
6, 王志剛*，“Physical insights on self-assembly at an atomic level （自組裝的原子層次物理視角）"，《科學通報》, 2018, 63, 1775-1782(評述論文) ;
5, Wang J. P., Xie W. Y.△ , Gao Y., Xu D. X., Wang Z. G.*, “Emerging disciplines based on superatoms: a perspective point of view”, Science Bulletin, 2018, 63, 395-397 (觀點論文) ;
4, Zhang Z. Y., Li D. H., Jiang W. R. and Wang Z. G.*, “The electron density delocalization of hydrogen bond systems”, Adv. Phys. X, 2018, 3, 1428915, DOI: 10.1080/23746149.2018.1428915(受邀綜述);
3, Gao Y., Wang Z. G.*, “Effects of 5f-elements on electronic structures and spectroscopic propertiesof gold superatom models”, Chin. Phys. B, 2016, 25, 083102(受邀綜述);
2, 於天榮，姜萬潤，王波，張占文，陳素芬，李波，唐永建， 王志剛*，“聚-α-甲基苯乙烯解聚反應的動力學模擬"，《科學通報》,2016, Doi: 10.1360/N972016-00033.（研究報告）;
1, Jiang W. R., Wang Z. G.*, "First-Principles Calculations of Magnetism in Nanoscale Carbon Materials Confining Metal with f Valence Electrons",J. Clust. Sci., 2016, 27, 845-860 (受邀綜述)；
選擇的部分工作成果（*通訊作者，△並列一作）：
22, Gao Y., Jiang W. R.,Xu D. X., and Wang Z. G.*, " Localization-vs-Delocalization of 5f Orbitals in SuperatomSystems", Adv. Theory Simul., 2018, 1700038;
21, Xu D. X., Gao Y., Jiang W. R., Wang Z. G.*, “An unusual spin-polarized electron state in fullerene induced by carbon adatom defects",Nanoscale, 2017,9, 7875-7879;
20, Yu T. R.△, Gao Y.△, Xu D. X., Wang Z. G.*, “Actinide endohedral boron clusters: A closed-shell electronic structure of U@B40”, Nano Research. 2017, DOI: 10.1007/s12274-017-1637-9;
19, Wang W. J., Tang Q., Yu T. R., Li X., Gao Y., Li J., Liu Y., Rong L.*, Wang Z. G.*, Sun H. C.*, Zhang H.*, and Yang B., “Surfactant-Free Preparation of Au@Resveratrol Hollow Nanoparticles with Photothermal Performance and Antioxidant Activity”, ACS Appl. Mater. Interfaces, 2017, 9, 3376-3387;
18, Gao Y., Jiang W. R.,Chen L., Wang J. and Wang Z. G.*, "First-principles study on charge-transfer in actinide-containing superatom from surface-enhanced Raman scattering", J. Mater. Chem. C, 2017, 5, 803-806;
17, Wang B., Jiang W. R., Gao Y., Teo B. K.* and Wang Z. G.*, “Chirality recognition in concerted proton transfer process of prismatic water clusters”, Nano Research, 2016, 9, 2782-2795;
16, Chen L., Gao Y., Cheng Y. K., Li H. C., Wang Z. G.*, Li Z. Q.*, Zhang R. Q.*, "Nonresonant Chemical Mechanism in Surface-Enhanced Raman Scattering of Pyridine on M@Au12 Clusters", Nanoscale,2016, 8, 4086-4093;
15, Wang B., Jiang W. R., Dai X., Gao Y., Wang Z. G.* and Zhang R. Q.*, "Molecular orbital analysis of the hydrogen bonded water dimer", Sci. Rep.,2016, 6, 22099;
14, Gao Y., Wang B., Lei Y.Y., Teo B. K.* and Wang Z. G.*, "Actinide-embedded gold superatom models: Electronic structure, spectroscopic properties and application in surface-enhanced Raman scattering", Nano Research, 2016, 9, 622-632 (Highlight in EurekAlert of AAAS);
13, Wu Z. N., Liu J. L., Gao Y., Liu H. W., Li T. T., Zou H. Y., Wang Z. G., Zhang K., Wang Y., Zhang H.*, Yang B.,“Assembly-Induced Enhancement of Cu Nanoclusters Luminescence with Mechanochromic Property”, J. Am. Chem. Soc., 2015,137, 12906-12913;
12, Lei Y. Y.△, Jiang W. R.△, Dai X., Song R. X., Wang B., Gao Y., Wang Z. G.*, “Slippage in stacking of graphene nanofragments induced by spin polarization”, Sci. Rep., 2015, 5, 10985;
11, Gao Y., Dai X., Kang S. G., Jimenez Cruz C. A., Xin M. S., Meng Y., Han J., Wang Z. G.*, Zhou R. H.*, “Structural and electronic properties of uranium-encapsulated Au14 cage”, Sci. Rep., 2014, 4, 5862;
10, Dai X., Xin M. S., Meng Y., Han J., Gao Y., Zhang W., Wang Z. G.*, Zhang R. Q.*, et. al., “Stable electronic structures of a defective uranofullerene”, Carbon, 2014, 78, 19-25;
9, Meng Y., Wu Q., Chen L., Wangmo S., Gao Y., Wang Z. G.*, Zhang R. Q.*, Ding D. J., Thomas N., and Thomas F., "Signatures in vibrational and UV-visible absorption spectra for identifying cyclic hydrocarbons by graphene fragments", Nanoscale, 2013, 5, 12178-12184;
8, Song R. X., Wangmo S., Xin M. S., Meng Y., Huai P., Wang Z. G.*, Zhang R. Q.*, “Anomalous stability of graphene containing defects covered by a water layer”, Nanoscale, 2013, 5, 6767-6772 (Inside back cover);
7, Dai X., Cheng C., Zhang W., Xin M. S., Huai P.*, Zhang R. Q.*, Wang Z. G.*, “Defect Induced Electronic Structure of Uranofullerene”, Sci. Rep., 2013, 3, 1341 (被科學網等選為新聞報導）;
6, Wangmo S., Song R. X., Wang L., Ding D. J., Wang Z. G.* and Zhang R. Q.*, "Strong interactions and charge transfers between a charged benzene molecule and multilayer graphenes", J. Mater. Chem., 2012, 22, 23380-23386;
5, Tian C. J.△, Xiu P.△, Meng Y., Zhao W. Y., Wang Z. G.* and Zhou R. H.*, "Enantiomerization Mechanism of Thalidomide and the Role of Water and Hydroxide Ions", Chem. Eur. J., 2012, 18, 14305-14313 (Front cover);
4, Wang C. L., Lu H. J., Wang Z. G., Xiu P., Zhou B., Hu J., Fang H. P.*, “Stable liquid water droplet on a water monolayer formed at room temperature on ionic model substrates”, Phys. Rev. Lett., 2009,103, 137801;
3, Yu T. R.△, Gao Y.△, Wang B., Dai X., Jiang W. R., Song R. X. , Zhang Z. W., Tang Y. J., Wang Z. G.*, et. al., “Depolymerization of free-radical polymers with spin migrations”, ChemPhysChem., 2015, 16, 3308-3312(Highlight inAtlas ofScience，大眾新聞報導);
2, Yang Z. X.△, Wang Z. G. △, Tian X. L., Xiu P.* and Zhou R. H.*, “Amino Acid Analogues Bind to Carbon Nanotube via π-π interactions: Comparison of Molecular Mechanical and Quantum Mechanical Calculations”,J. Chem. Phys., 2012, 136, 025103 (Highlight in Biochemical Physics,入選2011-2015之 JCP最多引用中國作者論文之列);
1, Wang Z. G., Wang C. L., Xiu P., Qi W. P., Tu Y. S., Shen Y. M., Zhou R. H., Zhang R. Q. *, Fang H. P. *, “Size Dependence of Nanoscale Confinement on Chiral Transformation”, Chem. Eur. J., 2010, 16, 6482-6487 (Inside cover, 並被 ChemViews 選為新聞報導).
博士學位部分成果（*通訊作者）：
4, Wang Z. G.*, Yao M.G., Pan S.F.*, Liu B. B., Zhang H. X.,et. al., “A barrierless process from physisorption to chemisorption of H2 molecules on light-element-doped fullerenes”, J. Phys. Chem. C 2007, 111, 4473-4476;
3. Wang Z. G.*; Zheng Z.R.*; Yu J.H., “Transient gain property of a weak probe field in an asymmetric semiconductor coupled double quantum well structure”, Phys. Lett. A 2007, 370, 113-118;
2. Wang Z. G., Pan S.F.*, Yao M.G., Wang G., Lv S. W., Yang J., Li W. Q. et. al., “The two hydrogen transfer dissociation channels of nicotine molecule in the gas phase” Journal of Molecular Structure: THEOCHEM 2006, 767, 95–101;
1, Wang Z. G., Lian K. Y., Pan S. F.*, Fan X. H., “A path from I to C symmetry for C cage molecule”, J. Comput. Chem. 2005, 26, 1279–1283.
