China-Nordic Workshop on Quantum Chemistry s1
China-Nordic Workshop on Quantum Chemistry
Xiamen University
November 19-23, 2007
PROGRAM
Part I Course-Like Lectures(Room 201, Qunxian Building II, Xiamen University)
November 19, Morning
08:30-09:00 / Opening Ceremony (Chairman: Wei Wu)
Zhongqun Tian
(Director, State Key Laboratory of Phys. Chem. of Solid Surfaces, Xiamen University)
Peiqiang Huang
(Dean, College of Chemistry and Chemical Engineering, Xiamen University)
Hans Ågren
(Professor, Royal Institute of Technology, Sweden)
09:00-10:15 / Trygve Helgakar
Quantitative Quantum Chemistry
10:15-10:45 / Tea Break
10:45-11:45 / Hans Jørgen Jensen
SCF and MCSCF
12:00-13:30 / Lunch
November 19, Afternoon
14:30-15:30 / Dage Sundholm
Numerical quantum chemistry approaches
15:30-15:45 / Tea Break
15:45-16:45 / Pawel Salek
DFT functionals
November 20, Morning
08:30-09:30 / Kurt Mikkelssen
Solvent effects and QM/MM
09:30-09:45 / Tea Break
09:45-10:45 / Patrick Norman
HF and MCSCF Response + optical properties
10:45-11:00 / Tea Break
11:00-12:00 / Olav Vahtras
TD-DFT and response for open shells
12:00-13:30 / Lunch
November 20, Afternoon
14:30-15:30 / Kenneth Ruud
Magnetic properties and vibrational averaging
15:30-15:45 / Tea Break
15:45-16:45 / Fahmi Himo
Modeling chemical and biological reactions
Part II Research-Oriented Lectures
(Room 201, Qunxian Building II, Xiamen University)
November 21, Morning
Chairman: Shuhua Li
08:30-09:15 / Hans Ågren
Multiphysics modeling of Molecular Materials
09:15-10:00 / Patrick Norman
Applications of response theory with relaxation
10:00-10:30 / Group Photo and Tea Break
Chairman: Kai Tan
10:30-11:15 / Zhigang Shuai
Quantum chemical descriptions for the electronic processes of organic materials
11:15-12:00 / Shuhua Li
Block-correlated coupled cluster theory for single bond breaking and diradicals
12:00-13:30 / Lunch
November 21, Afternoon
Chairman: Zhigang Shuai
14:30-15:15 / Kenneth Ruud
A general scheme for higher-order SCF response functions
15:15-16:00 / Olav Vahtras
Spin properties
16:00-16:15 / Tea Break
Chairman: Anan Wu
16:15-17:00 / Yi Luo
Molecular electronics
17:00-17:25 / Xuefei Xu
Theoretical Study on the Photoinduced Intramolecular Charge Transfer of Aromatic Conjugated Systems
17:25-17:50 / Xin Xu
Mechanisms for the selective oxidation of low alkanes by metal oxoes
November 22, Morning
Chairman: Jinlong Yang
08:30-09:15 / Trygve Helgakar
Methods for large-scale SCF calculations
09:15-10:00 / Wanzhen Liang
Algorithm and Application of RT-TDDFT
10:00-10:15 / Tea Break
Chairman: Xuefei Xu
10:15-11:00 / Hans Jørgen Jensen
MCSCF-srDFT
11:00-11:45 / Jinlong Yang
Graphene nanoribbons for spintronics
12:00-13:30 / Lunch
November 22, Afternoon
Chairman: Wenjian Liu
14:30-15:15 / Jiushu Shao
Stochastic Description of Quantum Dissipative Systems
15:15-16:00 / Dage Sundholm
Calculations of magnetically induced current densities in molecules
16:00-16:15 / Tea Break
Chairman: Yi Luo
16:15-17:00 / Wenjian Liu
Relativistic Theory for NMR Parameters
17:00-17:25 / Zexing Cao
Computational Modelling of Selected Biological Systems
17:25-17:50 / Kai Tan
Theoretical Study of Metal-Carbide Endofullerenes
November 23, Morning
Chairman: Jiushu Shao
08:30-09:15 / Kurt Mikkelssen
Modelling of aerosol particles, bionanophotonics, and carbon nanotubes
09:15-10:00 / Fahmi Himo
Quantum Chemical Studies of the Family of Binuclear Zinc Enzymes
10:00-10:15 / Tea Break
Chairman: Wanzhen Liang
10:15-11:00 / Pawel Salek
Sparse Matrices and Error Control in Large HF/DFT Calculations
11:00-11:25 / Anan Wu
Systematic Studies on the Computation of Nuclear Magnetic Resonance Shielding Constants and Chemical Shifts: The Density Functional Models
11:25-11:50 / Wei Wu
Heterolytic Bond Dissociation in Water: Why So Easy for C4H9Cl But not for C3H9SiCl?
Time-Table
Nov. 18 / 18:30-20:00 / Dinner / Yifu RestaurantNov. 19 / 08:30-9:00 / Opening Ceremony / Room 201, Qunxian Building II
09:00-11:45 / Lectures
12:00-13:30 / Lunch / Yifu Restaurant
14:30-16:45 / Lectures / Room 201, Qunxian Building II
18:30-20:00 / Dinner / Yifu Restaurant
Nov. 20 / 08:00-12:00 / Lectures / Room 201, Qunxian Building II
12:00-13:30 / Lunch / Yifu Restaurant
14:30-16:45 / Lectures / Room 201, Qunxian Building II
18:30-20:00 / Dinner / Lujing Hotel (for professors)
(Bus time:18:00 Jianwen Hotel)
Yifu Restaurant (for students)
Nov. 21 / 08:30-10:00 / Lectures / Room 201, Qunxian Building II
10:10-10:15 / Group Photo
10:15-11:45 / Lectures / Room 201, Qunxian Building II
12:00-13:30 / Lunch / Yifu Restaurant
14:30-17:50 / Lectures / Room 201, Qunxian Building II
18:30-20:00 / Dinner / TauRanJu
Nov. 22 / 08:00-11:45 / Lectures / Room 201, Qunxian Building II
12:00-13:30 / Lunch / Yifu Restaurant
14:30-17:50 / Lectures / Room 201, Qunxian Building II
18:30-20:00 / Dinner / Hu Jing restaurant (for professors)
(Bus time:18:00 Jianwen Hotel)
Yifu Restaurant (for students)
Nov.23 / 08:00-11:50 / Lectures / Room 201, Qunxian Building II
12:00-13:00 / Lunch / Yifu Restaurant
13:00 / Tour to Gulangyu Island
(Venue: Room 201, Qunxian Building II)
19:00-20:30 / Dinner / Vegetarian Restaurant of Nanputuo Temple (for professors)
TauRanJu (for students)
General Information
Venue & Locations
The conference is to be held at Room 201, Qunxian Building II, Xiamen University. To reach the venue, participants can refer to the color map of the campus, where the conference venue is marked.
Conference Office
Jianwen Building, Phone: (0592)2087988
Li Rao: 13950126385 (mobile)
Yicun Ni:13696990071 (mobile)
Breakfast, Lunch and Dinner
l The buffet breakfast for participants is available in the hotel. Please refer to hotel front desk for the breakfast restaurant.
l Lunch will be in the Yifu restaurant. Please refer to the map and the time-table.
l The dinners will be in the Yifu restaurant or outside the campus. Please refer to the time-table.
Currency and credit cards
The unit of Chinese currency is Yuan (RMB). The exchange rate is subject to market fluctuations, approximately 1 US$ for 7.5 RMB, and 1 Eur € for 10.4 RMB. Major credit cards including VISA, Master Card, American Express are accepted at most hotels, some department stores and restaurants.
Currency Exchange
There are two branches of the Bank of China locating in or near the XMU (shown in the map), where foreigners can ask for currency exchange during the work hours.
Weather
The weather in this season is mostly sunny or cloudy in the day and windy at the night with temperatures between 16-25°C. There will be probably some scattered rain in Nov 18.
Communications
Both IDD DDD telephone and broadband internet are ready in the hotel room.
Electricity
Electricity supply is 220 volts/50 Hz A.C. You may ask us or hotel for plug adapters.
Taxi
Taxis can be easily reached in the city with 8 RMB (1 USD) for the first 3 kilometers.
Useful Sentences in English and Chinese
Please take me to the Jianwen Hotel in Xiamen University.
请送我到厦门大学建文楼。
Please take me to the Da-nan Gate of Xiamen University.
请送我到厦门大学大南校门(相邻南普陀)。
Please tell me where I can make a call.
请问，哪里可以打电话？
Please tell me how much I should pay for this.
请问，这要多少钱？
Please tell me where I can take a taxi.
请问，哪里可以打的？
Please tell me how I can reach Qunxian Builing II.
请问，去群贤二号楼怎么走？
Please tell me how to go to Jianwen Hotel.
请问，去建文楼怎么走？
Please tell me how I can reach Bank of China.
请问，中国银行怎么走？
Please tell me how I can reach Chemistry Building.
请问，去化学楼怎么走？
Contact phone number
Prof. Wei Wu: 13606018900 (mobile)
Prof. Mingdan Chen: 13959219090 (mobile)
Dr. Anan Wu:13600944164 (mobile)
Weijun Huang: 13950002804 (mobile)
The Map of the Conference Venue:
Qunxian Building II (群贤二)
The Second Floor
The first floor
