20 December 2011
Afternoon: Registration
18:30
Dinner
21 December 2011
08:00
Breakfast
9:00 - 9:30 Registration
9:30 Opening and
Welcome
Photo taking
10:00 - 12:15 Morning
Session
Chairs:
Hongqi Xu (Lund University)
Cai-Zhuang Wang (Ames Lab)
10:00－10:30 Weihai Fang
(Beijing Normal Unviersity)
Ab initio based
surface-hopping method and its application to photoisomerization of a bridged
azobenzene
10:30－11:00 Ruiqin Zhang (City
University of Hong Kong)
Surface effect on
thermal conductivity of silicon nanostructures
11:00－11:15
Break
11:15－11:45 John Z.H. Zhang (East China
Normal University)
Hydrogen bonding and
polarization in protein dynamics
11:45－12:15 Keli Han
(Dalian Institute of Chemical Physis, CAS)
The effect of hydrogen
bond on chemical reaction
12:15
Lunch
COMMITTEE MEETING
Chairs: John
Z.H. Zhang (East China Normal University)
Ruiqin Zhang (City
University of Hong Kong)
14:30 - 15:00 Laptop
Poster Session
Chair: Feng
Ding (Hong Kong Polytechnic University)
Yan Wang (Xiangtan University)
Yongli Huang (Xiangtan University)
Zengsheng Ma (Xiangtan University)
15:00 - 18:15
Afternoon Session
Chairs:
Kwok Sum
Chan (City University of Hong Kong)
Qinghu Chen (Zhejiang
University)
15:00－15:30 Hongqi Xu (Lund University)
Scattering matrix
method: formalism and applications
15:30－16:00 Kwok Sum Chan (City
University of Hong Kong)
Spin current
generation in graphene by quantum pumping
16:00－16:30 Zhihui Wang (University of
Southern California)
Quantum coherent
control of spin qubits in diamond
16:30 －16:45
Break
16:45－17:15 Cai-Zhuang Wang
(Ames Lab)
Metal on graphene:
adsorption, growth morphology, and thermal stability
17:15－17:45 Songyou Wang (Fudan
University)
Atomistic cluster
alignment method and its application in liquids and glasses
17:45－18:15 Wen Yang (Beijing
Computational Science Research Center (CSRC))
Suppressing electron
spin decoherence in quantum dots
18:30
Dinner
22 December 2011
08:00
Breakfast
8:45 - 9:00 Registration
9:00 - 12:15 Morning
Session
Chairs:
Chang Q. Sun (Nanyang Technological University)
Daoxin Yao (Sun
Yat-sen University)
9:00－9:30 Chang Q. Sun (Nanyang
Technological University)
Bond relaxation
dynamics and the associated anomalies of graphene and ice
9:30－10:00 Feng Ding (Hong Kong
Polytechnic University)
The mechanism of graphene and
carbon nanotube CVD growth
10:00－10:30 Jingbo Xu (Zhejiang
University)
Controlling Quantum Correlations for the
Systems of Cavity QED and Spin Chain
10:30－10:45
Break
10:45－11:15 Zexing Cao
(Xiamen University)
Modelling water-mediated
reactions: hydration
of carbonyl group & hydrolysis of C-N bond
11:15－11:45 Chi-Kit Andy Siu (City
University of Hong Kong)
Structures of aromatic
amino-acid radical cations
11:45－12:15 Xuhui Huang (Hong Kong University of Science
and Technology)
Investigating
conformational changes of biological macromolecules using Markov State Models
12:15
Lunch
14:30 - 18:00 Discussion Session I
Chairs:
Ruiqin Zhang (City University of Hong Kong)
Keli Han (Dalian Institute of Chemical
Physis, CAS)
18:30
Dinner
23 December 2011
08:00
Breakfast
9:00 - 12:15 Morning
Session
Chairs: Changqin
Wu (Fudan University)
Zexing Cao (Xiamen University)
9:00－9:30 Maosheng Miao (University of
California)
First principles study of low dimension
semiconductor system: from origin of 2DEG gas to polarization driven quantum
transition
9:30－10:00 Qinghu Chen (Zhejiang
University)
Dynamics of vortex
matter in Type-II superconductors: Numerical simulations
10:00－10:30 Daoxin Yao (Sun Yat-sen
University)
Spin, charge and
orbital ordering in iron-based Superconductors
10:30－10:45
Break
10:30 – 12:15 Panel Discussion - Outlook on Theoretical and
Computational Physics and Chemistry
Chairs: Weihai
Fang (Beijing Normal University)
Liangmo Mei (Shandong University)
12:15 Lunch
14:30 - 18:00
Discussion Session II
Chairs: Zexing Cao
(Xiamen University, Xiamen)
Cai-Zhuang
Wang (Ames Lab)
24 December 2011
08:00
Breakfast
9:00 - 18:00
Discussion Session III
Chairs: Cai-Zhuang
Wang (Ames Lab)
Ruiqin Zhang (City University of Hong Kong)
25 December 2011
08:00
Breakfast
Departure