计算物质科学教育部重点实验室（复旦大学）

学术交流

2016年度出访情况

2016年度实验室成员受邀在各种国际国内会议中做邀请报告42次。

	会议名称（时间、地点）	报告题目	报告人
1	The 1st USTC-FHI workshop on the Frontiers of Advanced Electronic Structure Methods (2016-6，合肥)	Orbital physics and magnetism in transition-metal oxides	吴骅
2	第十九届全国凝聚态理论与统计物理学术会议 (2016-7，湘潭)	Charge-spin-orbital states and magnetism in transition-metal compounds	吴骅
3	Sino-German Workshop on Biomolacular Simulations across Scales (Shanghai, May 26-30, 2016)	Conformational ensemble and Aβ-template-induced population shift of intrinsically disordered protein tau	韦广红
4	第十届海峡两岸生物学启发的理论科学问题研讨会 (中国科学院上海应用物理研究所-扬州大学，2016年6月19-25日)	Conformational ensemble and Aβ-template-induced population shift of intrinsically disordered protein tau	韦广红
5	2016 International Workshop on Frontiers in Molecular Biophysics (July 23-25, 2016 \| Shanghai)	Self-assembly and co-assembly of polypeptides studied by molecular dynamics simulations	韦广红
6	The 4th International Conference on Molecular Simulation (ICMS) (Oct. 23 - 26, 2016, Shanghai)	Computational study of peptide self-assembly and co-assembly	韦广红
7	第六届复杂体系计算统计力学研讨会（2016年11月25-28日，深圳）	短肽自组装和共组装的分子动力学模拟研究	韦广红
8	2016年第八届全国计算物理会议	Quantum anomalous Hall related states in two-dimensional materials	杨中芹
9	第二届凝聚态物理学会议（2016年 7月20日-22日，南京）	Understanding and Predicting Multiferroics	向红军
10	San Diego ACS 251 年会（2016/3/15，美国）	Nature of rutile nuclei in anatase-to-rutile phase transition	刘智攀
11	德国 Dresden 2016/9/12	Automated Reaction Sampling using SSW method	刘智攀
12	海峡两岸理论化学会议（2016/10/15，长沙）	Automated Reaction Sampling using SSW method	刘智攀
13	The Forum on Scientific and Engineering Computing 2016 2016科学与工程计算论坛 2016/6/3	Automated Reaction Sampling using SSW method	刘智攀
14	The 4th International Conference on Molecular Simulation （2016/10/24，上海）	Automated Reaction Sampling using SSW method	刘智攀
15	北京大学-复旦大学物理化学前沿论坛（2016-1-11，北京）	H+H2: Quantum dynamics using potential energy surfaces based on the XYG3 type of doubly hybrid density functionals.	徐昕
16	ACS251-Spring: Computational Chemistry across Catalysis (San Diego, 2016-3-14)	Towards the accurate and efficient theoretical modelling of catalysis	徐昕
17	FUNSOM, NANO-CIC, 创新论坛，	Recent advances on the XYG3-type of doubly hybrid density functionals	徐昕
17	(苏州，2016-04-15)		徐昕
18	Multiscale calculations (Dalian 2016-04-27)	Toward the construction of a parameter-free doubly hybrid density functional from adiabatic connection	徐昕
19	IAS Focused Program on “Molecular Machines of Life: Simulations Meets Experiment” (Hong Kong, 2016-05-25)	Understanding the Anion-π Interactions	徐昕
20	Sino-German Workshop on Biomolecular Simulations across Scales (Shanghai, 2016-05-29)	Understanding the Anion-π Interactions	徐昕
21	International Symposium on New Molecules and Clusters (Shanghai, 2016-05-29)	Understanding the Anion-π Interactions	徐昕
22	The 1st USTC-FHI workshop on the Frontiers of Advanced Electronic Structure Methods (Hefei，2016-06-16)	Recent advances on the XYG3-type of doubly hybrid density functionals	徐昕
23	9th International conference on computational nanoscience and new energy materials (Shanghai, 2016-06-24)	The integration approach at the second-order perturbation theory: Application to IP and EA calculations	徐昕
24	15th RCTF-2016 (biannual) (Lyon(France), 2016-6-30)	Towards the accurate and efficient theoretical modelling in heterogeneous catalysis	徐昕
25	PSCSMC-2016 (Post-symposium on Catalysis for Syngas and Methanol Conversion) (Beijing, 2016-7-11)	Towards the accurate and efficient theoretical modelling in heterogeneous catalysis	徐昕
26	Jia Xiu Workshop (甲秀讲习班) (Gui Yang, 2016-8-1)	Towards the accurate and efficient theoretical modelling in heterogeneous catalysis	徐昕
27	WFTCPC’16 (2016 International Workshop on Frontiers of Theoretical and Computational Physics and Chemistry) (Nanchang, 2016-08-12/14)	Second-Order Perturbation Theory for Fractional Occupation Systems: Applications to IP and EA Calculations	徐昕
28	International Conference on Theory and Application of Computational Chemistry 2016 (TACC2016, 四年一届) (美国西雅图， 2016-08-29~09-02)	Second-Order Perturbation Theory for Fractional Occupation Systems: Applications to IP and EA Calculations	徐昕
29	CCTC 2016 workshop on Theoretical Chemistry (Trujillo (Peru), 2016-09-26~30)	Recent advances on the XYG3-type of doubly hybrid density functionals	徐昕
30	2016 EMN Meeting on Computation and Theory (Las Vegas(USA), 2016-10-10~14)	Second-Order Perturbation Theory for Fractional Occupation Systems: Applications to IP and EA Calculations	徐昕
31	CTCC-7 (The 7th Cross-strait Theoretical and Computational Chemistry Conference) (Changsha, 2016-10-14/18)	Towards the accurate and efficient theoretical modelling in heterogeneous catalysis	徐昕
32	ICMS2016 (The 4th International Conference on Molecular Simulation) (Shanghai, 2016-10-23/26)	Second-Order Perturbation Theory for Fractional Occupation Systems: Applications to IP and EA Calculations	徐昕
33	Shanghai-Stockholm Bilateral Conference on Theoretical Chemistry (shanghai, 2016-10-31/11-03)	Second-Order Perturbation Theory for Fractional Occupation Systems: Applications to IP and EA Calculations	徐昕
34	2016第六届复杂体系计算统计力学研讨会 (深圳，2016-11-28)	Towards the accurate and efficient theoretical modelling in heterogeneous catalysis	徐昕
35	Forum on Scientific and Engineering Computing: Computational Problems in Materials Design (June 3-4, 2016, Beijing)	Computational Inverse Design of Novel Solar Energy Materials	龚新高
36	9th International Conference on Computational Nanoscience and New Energy Materials (June 22-26, 2016, Shanghai)	Thermal Conductivity of Two Dimensional Materials and its Manipulations	龚新高
37	MRS-2016, Boston	Self-passivation Rule of Grain Boundary and Post-treatment in Thin Film Solar Cell Materials	龚新高
38	14th national conference on theory of magnetism (Hefei, April 8-10, 2016)	Novel method for first principle calculations of magnetic interactions and its applications	龚新高
39	6th international workshop on quantum energy (Xiangtan, Sept. 20-23,2016)	Interface in Solar Cell Materials: Self-passivation and Post-treatment Effect	龚新高
40	College on Multiscale Computational Modeling of Materials for Energy Applications (July 11-15, 2016, ICTP, Italy)	Computational Studies of Novel Solar Energy Materials: Defect and Inverse Design	龚新高
41	Forum on Scientific and Engineering Computing (June 3-4, 2016, Beijing)	Computational Inverse Design of Novel Solar Energy Material	龚新高
42	1st USTC-FHI workshop on Frontiers of Advanced Electronic Structure Methods June 14-18, 2016	Theoretical Design and Understanding of Novel Solar Energy Materials	龚新高
43	第六届新兴电子材料和器件国际学术研讨会 (合肥2016.7.9-13)	Search for Dirac semimetal from perovskite materials	武汝前