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Academic Activities
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Invited Presentations
Invited Lecture at Hokkaido University
“NOx storage mechanism on NSR catalysts”, Hokkaido University, Sapporo, Japan, Invited by Jun-ya Hasegawa, 02…
2013 Hong Kong Workshop in Computer Modeling of Complex Processes
“How well can we do computational heterogeneous catalysis ? - A Caveat !” 2013 Hong Kong Workshop in Computer Modeling of Complex Processes, 2013,12,18, The University of…
Day of longboarding
1.“Fractional charge behaviour and band gap predictions with the XYG3 type of doubly hybrid density functionals”, The International Symposium on Computational Sciences (I…
第十二届全国计算(机)化学学术会议
“新一代密度泛函方法XYG3”, 第十二届全国计算(机)化学学术会议, 大会报告, 2013, 10, 21-24, 苏州
IWCSE 2013
“Fractional charge behaviour and band gap predictions with the XYG3 type of doubly hybrid density functionals”, The First International Workshop on Computational Science …
246th ACS Indianapolis
“How well can we do computational heterogeneous catalysis ? - A Caveat !” Theory and Simulation in Energy Production, Storage, and Utilizat…
第13届全国化学动力学会议
“Development of New Density Functionals: Towards Accurate Descriptions of Potential Energy Surfaces”, 第13届全国化学动力学会议,2013, 8月23&…
ICT-HPCC13
“Fractional charge behaviour and band gap predictions with the XYG3 type of doubly hybrid density functionals”, International Conferen…
Workshop on Computational Methods for Complex Systems
“Hybrid methods for accurate and efficient modeling of large systems”, Workshop on Computational Methods for Complex Systems, 2013,06,27. Tamkang, Taiwan
6th world-wide Chinese Theoretical and Computational Chemistry Conference
Fractional charge behaviour and band gap predictions with the XYG3 type of doubly hybrid density functionals”, The 6th world-wide Chinese Theoretical and Computational Chemistr…
4th Chinese-French Workshop in Theoretical Chemistry
“Fractional charge behaviour and band gap predictions with the XYG3 type of doubly hybrid density functionals”, 4th Chinese-French Workshop in Theoretical Chemistry (CFWT…
Computational Catalysis for Energy Chemical Engineering
“A new insight into the initial step in the Fischer–Tropsch synthesis: CO dissociation on Ru surfaces”, International Symposium on Computational Catalysis for Energ…
1st Symposium of Theoretical Chemistry Center, Tsinghua University
“Development of New Density Functionals for Accurate Descriptions of Nonbond Interactions, Thermochemistry, and Thermochemical Kinetics”, 1st Symposium of Theoretical Chemistry Center, &nbs…
The second Sino-French conference on green chemistry
“Thermochemistry for Conversion of 5-Choromethylfurfural (CMF) into Valuable Chemicals”,…
Computational Methods for Complex Systems
“Hybrid methods for accurate and efficient modeling of large systems”, The Workshop on Computational Methods for Complex Sy…
International symposium on molecular biophysics & biophotonics 2012
“Doubly hybrid DFT functionals XYG3 and XYGJ-OS: Their performances for noncovalent binding energies relevant to biomolecular structures” International symposium on molec…
CFWTC2011
Invited to attend The 3rd CHINESE-FRENCH WORKSHOP IN THEORETICAL CHEMISTRY from 9 to 14 October 2011 at La Colle sur Loup, French Riviera.
Visiting Prof. W. T. Yang
Invited to visit Prof. W. T. Yang from Aug. 31 to Sep. 3 at Duke Uni…
The 242nd ACS National Meeting
Invited to attend symposium on “Computational Methods, Modeling and Simulations in Fuel and Energy Technologies” at the 242nd A…
Challenges in Computational Homogenous Catalysis
Invited by Prof. Fahmi Himo to attend the conference entitled “Challenges in Computational Homogenous Catalysis” to take place at Stockholm University in the period 25-26 Augus…
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