DICP Symposium (XII) on Molecular Dynamics
13-15 Oct. 2006 Dalian China
The Conference is Sponsored by
Dalian Institute of Chemical Physics, CAS
Chinese Academy of Sciences
National Natural Science Foundation of China
Invited Speakers:
Name
David H. Parker
F. J. Aoiz
H. Floyd Davis
Joel M. Bowman
John Z.H. Zhang
Jingsong Zhang
Kopin Liu
Michael A. Collins
Millard Alexander
Piergiorgio
Casavecchia
Robert E. Continetti
Stuart C. Althorpe
Timothy K. Minton
Toshinori Suzuki
W. Carl Lineberger
William H. Miller
Bing Zhang
Keli Han
Shuhua Li
Fei Qi
Hongfei Wang
Daiqian Xie
Xin Xu
Yuxiang Mo
Guorong Wu
Zefeng Ren
Institution
University of Nijmegen, Netherlands
Universidad Complutense de Madrid, Spain
Cornell University, USA
Emory University, USA
New York University, USA
University of California, Riverside, USA
Institute of Atomic and Molecular Sciences, Academia Sinica,
Taipei, Taiwan
Australian National University, Australia
University of Maryland, USA
Universita' di Perugia, Italy
University of California, San Diego, USA
University of Cambridge, UK
Montana State University, USA
RIKEN, Japan
University of Colorado, USA
University of California, Berkeley, USA
Wuhan Institute of Physics and Mathematics, CAS
Dalian Institute of Chemical Physics, CAS
Nanjing University
University of Science and Technology of China
Institute of Chemistry, CAS
Nanjing University
Xiamen University
Tsinghua University
Dalian Institute of Chemical Physics, CAS
Dalian Institute of Chemical Physics, CAS
Local Organizing Committee
Donghui Zhang
Chairman
Xueming Yang
Co-Chairman
Xiuyan Wang
General Secretary
Dongxu Dai
Keli Han
Zichao Tang
Heping Yang
Li Wang
Guanlin Shen
Contact information
Donghui Zhang (Chairman)
Tel. 86(0)411-84379362(O)
Cell: 13904280250
Email: zhangdh@dicp.ac.cn
Xueming Yang (Co-Chairman)
Tel: 86(0)411-84695174(O)
Cell: 13898403216
Email: xmyang@dicp.ac.cn
Ms. Xiaoying Fan (Secretary)
Tel: 86(0)411-84379040(O)
Cell: 13591347392
Email: xiaoyfan@dicp.ac.cn
Program for DICP Symposium (Ⅻ) on Molecular Dynamics
(Conference Hall of DICP Bio-Tech Building )
Thursday, Oct. 12, 2006
12:00 - 18:00 Registration
Dinner at Air China Hotel
18:00 -
Friday, Oct. 13, 2006
07:00 - 08:20 Breakfast at Air China Hotel
Taking bus to Institute
08:20
08:45 - 08:50 Welcome by Prof. Xueming Yang
08:50 - 09:10 Speech by Prof. Xinhe Bao, Director of DICP
Session 1
Chair: Cunhao Zhang
09:10 - 09:45 William H. Miller
Using the Initial Value Representation of Semiclassical Theory to
Include
Quantum
Effects
in
Classical
Molecular
Dynamics
Simulations
09:45 - 10:20 Stuart C. Althorpe
The Geometric Phase and the Dynamics of the Hydrogen-exchange
Reaction
10:20 - 10:50 Group Photo and Coffee break
10:50 - 11:25
Michael A. Collins
Molecular Potential Energy Surfaces and Matrices for Chemical
Reaction Dynamics
11:25 - 12:00
Shuhua Li
A
“Cluster-in-molecule”
Approach
Calculations of Large Molecules
12:00 - 13:30 Lunch at Institute
for
Electron
Correlation
Session 2
Chair: Guozhong He
13:45 - 14:20 Kopin Liu
Mode-specific Chemistry by Pair-correlation
14:20 - 14:55 H. Floyd Davis
C-C
and
C-H
Bond
Activation
in
Neutral
Transition
Metal-Hydrocarbon Reactions
14:55 - 15:30 Yuxiang Mo
The Jahn-Teller Effect in CH3Cl+ and Ion-pair Dissociation Dynamics
of O2 by XUV Laser
15:30 - 15:50 Coffee break
15:50 - 16:25 Toshinori Suzuki
Photodissociation Dynamics of Nitrous Oxide
16:25 - 17:00 David H. Parker
Direct Photodissociation and Predissociation of State-selected and
Oriented OH and SH Radicals
17:00 - 17:35 Bing Zhang
Femtosecond Velocity Imaging of Dissociative Ionization of ICl and
CH3I and Ultrafast Photodissociation of CH3I and CH2BrCl
18:00 -
Dinner at Institute
Saturday, Oct. 14, 2006
Session 3
Chair: Chengbu Liu
08:45 - 09:20 Joel M. Bowman
Ab initio-based Potential Energy Surfaces and Dynamics Using Them
09:20 - 09:55 John Z.H. Zhang
Quantum Dynamics Study of Gas-phase Chemical Reactions Beyond
Tetraatomics
09:55 - 10:30 F. J. Aoiz
Cumulative
Reaction
Probabilities:
A
Comparison
Between
Quasiclassical and Quantum Mechanical Results
10:30 - 10:50 Coffee break
10:50 - 11:25
Xin Xu
Accurate Prediction of Heats of Formation by a Combined Method of
Density Functional Theory and Neural-network Correction
11:25 - 12:00
Daiqian Xie
Intermolecular Potential Energy Surface and Rovibrational Spectra
for van der Waals Complexes
12:00 - 13:30 Lunch at Institute
Session 4
Chair:
13:45 - 14:20
Wensheng Bian
Piergiorgio Casavecchia
Recent Progress in Radical-molecule and Radical-radical Reaction
Dynamics by Crossed Molecular Beams with Soft Electronionization Detection: From Combustion to Astrochemistry
14:20 - 14:55
Jingsong Zhang
Photodissociation Dynamics of Small Free Radicals
14:55 - 15:30
Timothy K. Minton
Crossed-Beams Studies of Hyperthermal O(3P) Reactions
15:30 - 15:50
Coffee break
15:50 - 16:25
Robert E. Continetti
Isotope Effects in the Dissociative Photodetachment of HOCO- and
DOCO-
16:25 - 17:00
Fei Qi
Combustion and Other Studies with Tunable VUV Single-photon
Ionization Technique
17:00 - 17:20
Guorong Wu
A Study on the Dynamics of F+SiH4  HF+SiH3 Using Time-Sliced
Ion Imaging
18:30 -
Banquet at Air China Hotel
Sunday, Oct. 15, 2006
Session 5
Chair: Zhongzhi Yang
08:45 - 09:20 Millard Alexander
New Ab initio Potential Energy Surfaces for the F(2P)+H2 
FH(1+)+H(2S) Reaction
09:20 - 09:55 Keli Han
The Time-dependent Quantum Wave Packet Approach to the
Electronically Nonadiabatic Processes in Chemical Reactions
09:55 - 10:15 Zefeng Ren
Probing Reaction Resonances in F + H2
10:15 - 10:35 Coffee break
10:35 - 11:10
Hongfei Wang
Vibrational Spectroscopy, Structure and Dynamics of Water Molecule
at the Air/Water Interface
11:10 - 11:45
W. Carl Lineberger
Time-resolved
Study of
Solvent
Induced
Recombination
Photodissociated I2−(CO2)n and IBr−(CO2)n Clusters*
12:00 - 13:30 Lunch at Institute
14:00 - 17:00 Lab tour/sightseeing
in