中
Home
Research
PBE-ACDH
XPBE
X3LYP
X1, X1s
XO
DCMB
REST_TENSORS
Team
Group Leader
Current Members
Assistant Manager
Post-doc
PhD
Master
Former Group Members
Publications
papers
2022
2021
2020
2019
2018
2017
2015-2016
2013-2014
2010-2012
2006-2009
2000-2005
1996-1999
1995 and before
Books and Chapters
Academic Activities
Invited Presentations
Academic Activities
Invited Presentations
Invited Presentations
The 3rd Worldwide Chinese Conference of Computational Biology
“New insights into the ion-π interactions” at Beijing (online)
The 8th Cross-strait Theoretical and Computational Chemistry Conference
“Towards the accurate and efficient microkinetic modelling in heterogeneous catalysis”, The 8th Cross-strait Theoretical and Computational Chemistry Conference (CTCC-8), Taibei, 2019…
2019 Symposium on Clean and Efficient Use of Mineral Resources and Interface Chemistry
“Challenges for Theoretical Modelling of Heterogeneous Catalysis under Operando Conditions”, 2019 Symposium on Clean and Efficient Use of Mineral Resources and Interface Chemistry: M…
2019 World Youth Scientists (Wenzhou) Summit
“Challenges for Theoretical Modelling of Heterogeneous Catalysis under Operando Conditions”, 2019 World Youth Scientists (Wenzhou) Summit，2019.10.25-27.
19th National Conference on Catalysis (Chongqing)
“Challenges for Theoretical Modelling of Heterogeneous Catalysis under Operando Conditions”, 19th National Conference on Catalysis (Chongqing) 2019.10.14-17.
The University of Queensland
“Towards accurate and efficient theoretical modelling in catalysis”, The University of Queensland, Brisbane, Australia, 2019. 10. 8, invited by Prof. Debra J Bernhardt.
APATCC2019
“Extended Koopmans’ Theorem at the Second Order Perturbation Theory: From Wave Function Theory to Density Functional Theory”, APATCC2019, Sydney Australia, 2019, 9.…
Frontier Forum on Theoretical Chemistry (Jilin University)
“Challenges for Theoretical Modelling of Heterogeneous Catalysis under Operando Conditions”， Frontier Forum on Theoretical Chemistry (Jilin University), 9.21, 2019
Forum on Interfacial Catalysis: Theory and Application (Zhengzhou University)
“Towards accurate and efficient theoretical modelling in catalysis”, Forum on Interfacial Catalysis: Theory and Application (Zhengzhou University), 9.19-20, 2019
CNNEM12-2019 (Plenary)
“Towards accurate and efficient theoretical modelling …
Symposium on Theoretical Chemistry for the New Era
“Development of machine learning algorithms for chemistry”, Symposium on Theoretical Chemistry for the New Era, Tianshui, Aug. 3-7, 2019
1st International Symposium of Theoretical & Physical Chemistry (SUSTech)
“Double Hybrid Functionals Based on the Adiabatic Connection Formalism”，1st International Symposium of Theoretical &…
ANSCSE23 (Plenary)
“The XYG3 type of doubly hybrid density functionals: From molecular systems to extended solids”, …
KITS Workshop on Frontiers in DFT and Beyond – Advances and Challenges
“The XYG3 type of doubly hybrid density functio…
The 237th Shuang Qin Forum
“Development of machine learning algorithms for chemistry”, The 237th Shuang Qin Forum Shengzhen, 5.24-26, 2019
Tongji University High-end forum on the first-class materials discipline
“Towards accurate and efficient theoretical modelling in catalysis”, Tongji University High-end forum on the first-class materials discipline, 18-19 May 2019
7th Chinese-French Workshop in Theoretical Chemistry
“Towards accurate and efficient theoretical modelling in catalysis”, 7th Chinese-French Workshop in Theoreti…
WAG-SCMnG-Suda-Workshop
“New QM methods for periodic solids”，WAG-SCMnG-Suda-Workshop，Suzhou，2019/5.8-9
Electronic Structure and Dynamics of Complex Systems
“Double Hybrid Functionals Based on the Adiabatic Connection Formalism”， Symposium on “Electronic Structure and Dynamics…
Chinese Computational Catalysis Network
“Towards accurate and efficient theoretical modelling in catalysis”, The 4th Symposium of Chinese Computational Catalysis Network (C3N…
1
2
3
下一页
末页
