- [2023-03-08] From Knowledge Graphs to Knowledge Computing 2023-03-06
- [2021-11-26] Overcoming the Technical Bottlenecks: Bridging the Gap between Fundamental and Applied Catalysis 2021-11-24
- [2021-11-26] Conformationally-driven enzyme design 2021-11-24
- [2021-10-22] What is the target of a machine-learned potential energy surface? How the answer informs the approach taken 2021-10-20
- [2021-09-28] Adaptive Multiscale Simulations: QM/MM and Beyond 2021-09-27
- [2021-07-19] Aggregate Science: from Molecules, beyond Molecules 2021-07-14
- [2021-06-02] Hybrid quantum-classical Dynamics based on trajectory bifurcation 2021-05-28
- [2021-06-02] Quantum chemistry calculation of the strong correlation system and the excited states of molecular aggregates 2021-05-28
- [2021-04-30] Ab initio QM/MM Simulations with Advanced Polarizable Potentials 2021-04-22
- [2021-03-22] Towards Atom Precise Synthesis and Engineering with Electron Microscopes 2021-03-18
Title: From Knowledge Graphs to Knowledge Computing Speaker: Jeff Z. Pan, University of EdinburghDate: 2023-03-08 14:30Location: Room 202, Lujiaxi BuildingAbstract：Knowledge Graphs (KGs) have rapidly become a mainstream technology for knowledge aware NLP and knowledge aware learning and reasoning in AI. In this talk I will mainly discuss some key challenges on knowledge graph construction and...
Title: Overcoming the Technical Bottlenecks: Bridging the Gap between Fundamental and Applied CatalysisSpeaker: Prof. Abhishek Dutta Chowdhury, Wuhan UniversityDate: 2021-11-26 15:00Location: Room 234, Chemistry BuildingAbstract：Catalysis is an essential technology to produce both bulk and fine chemicals, materials, and fuels, and combustion and pollution control devices. Hence, catalysis is...
Title: Conformationally-driven enzyme designSpeaker: Sílvia Osuna, ICREA Researcher, University of GironaDate: 2021-11-26 16:00Location: Room B311, Zengchengkui Building Abstract：Enzymes exist as an ensemble of conformational states, whose populations can be shifted by substrate binding, allosteric interactions, but also by introducing mutations to their sequence. Tuning the populations of t...
Title: What is the target of a machine-learned potential energy surface? How the answer informs the approach takenSpeaker: Prof. Joel M. Bowman, Emory UniversityDate: 2021-10-22 09:00Location: Room B311, Zengchengkui BuildingAbstract：There has been dramatic progress in developing so-called “machine-learned potential energy surfaces”. After going the basics of what this means and also a quick...
Title: Adaptive Multiscale Simulations: QM/MM and BeyondSpeaker: Prof. Hai Lin, University of Colorado DenverDate: 2021-09-28 10:00Location: Online (voov meeting: 631 134 388，password:210928)Abstract：In adaptive multiscale simulations, atomic descriptions may vary on-the-fly continuously and smoothly between different levels of theory. For example, adaptive QM/MM allows atoms to be reclassifi...
Title: Aggregate Science: from Molecules, beyond MoleculesSpeaker: Prof. Ben Zhong Tang, The Chinese University of Hong Kong, ShenzhenDate: 2021-07-19 19:30Location: Chemistry Lecture HallAbstract：To understand the Nature, scientists have viewed the world from different angles and built various research frameworks according to the level of inquiry, e.g., macro and micro sciences for studying...
Title: Hybrid quantum-classical Dynamics based on trajectory bifurcationSpeaker: Prof. Linjun Wang, Zhejiang UniversityDate: 2021-06-02 10:30Location: Room 202, Lujiaxi Buildin
Title: Quantum chemistry calculation of the strong correlation system and the excited states of molecular aggregatesSpeaker: Prof. Haibo Ma, Nanjing UniversityDate: 2021-06-02 09:00Location: Room 202, Lujiaxi Buildin
Title: Ab initio QM/MM Simulations with Advanced Polarizable PotentialsSpeaker: Prof. Gerardo Andrés Cisneros, University of North TexasDate: 2021-04-30 09:00Location: Room B311, Zengchengkui BuildingAbstract：Quantum Mechanics/Molecular Mechanics (QM/MM) simulations are a popular approach to study various features of large systems. A common application of QM/MM calculations is the investigatio...
Title: Towards Atom Precise Synthesis and Engineering with Electron MicroscopesSpeaker: Prof. Mark H. Rümmeli, Soochow UniversityDate: 2021-03-22 15:00Location: Room 202, Lujiaxi BuildingAbstract：In this presentation I will highlight the different areas of research I am involved with. The areas I will introduce are the synthesis of nano-materials, nano-bio studies, nano-materials in ion insert...