The Croucher Foundation - Advanced Study Institute on
Frontiers in Computational Methods and
Their Applications in Physical Sciences


to be held
December 6 - 13, 2005

at
The Chinese University of Hong Kong

organized by
Department of Physics and Institute of Theoretical Physics, The Chinese University of Hong Kong

sponsored by
The Croucher Foundation



Organizing Committee

Director: Hai-Qing Lin (CUHK)
Sec'y: Pui-Yee Ho (CUHK)
Che-Ting Chan (HKUST)
Zhi-Feng Liu (CUHK)
Chi-Fai Lo (CUHK)
Lei-Han Tang (HKBU)
Fu-Chun Zhang (HKU)
Rui-Qin Zhang (CityU)

Invited Lecturers

Roberto Car, Princeton Univ.
David M. Ceperley, Univ. of Illinois
James E. Gubernatis, LANL
David P. Landau, Univ. of Georgia
Steven G. Louie, UC Berkeley
Andrew Chi-Chih Yao, Tsinghua Univ.

 

Associate Lecturers and Invited Speakers

Che-Ting Chan, Hong Kong Univ. of Sci. & Tech.
Guan-Hua Chen, Univ. of Hong Kong
Jinming Dong, Nanjing Univ.
Yong Duan, UC Davis
Zhong Fang, Institute of Physics, CAS
Xingao Gong, Fudan Univ.
Luhua Lai, Peking Univ.
Ting-Kuo Lee, Institute of Physics, Academia Sinica
Pak-Wo Leung, Hong Kong Univ. of Sci. & Tech.
Hai-Qing Lin, Chinese Univ. of Hong Kong
Mei Liu, Southeast Univ.
Zhifeng Liu, Chinese Univ. of Hong Kong
Gerardo Ortiz, Los Alamos National Lab.

Qi Ouyang, Peking Univ.
Anders W. Sandvik, Boston Univ.
Lei-Han Tang, Hong Kong Baptist Univ.
Tao Xiang, Institute of Theoretical Physics, CAS
John Tse, Univ. of Saskatchewan
Enge Wang, Institute of Physics, CAS
Jiansheng Wang, National Singapore Univ.
Xiaoqun Wang, Institute of Theoretical Physics, CAS
Jinlong Yang, Univ. of Science and Technology of China
Lu Yu, Institute of Theoretical Physics, CAS
Xiaocheng Zeng, Univ. of Nebraska-Lincoln
Zhi Zeng, Institute of Solid State Physics, CAS
Bo Zheng, Zhejiang Univ.

 
 

Mission:

  • To review recent advances in computational physics by emphasizing the impact that new developments in large scale numerical computation have significantly enhanced our comprehension of the physical nature of materials as well as our capability in designing new materials.
  • To conduct in-depth discussions on selected state-of-the-art methods for solving important numerical problems in statistical and materials physics.
  • To facilitate a brain-storming forum for the generation of ideas on novel methods and new applications.
 
 

Structure:

Six morning 3-hour lectures and presentations/discussions in five afternoons. The working language is English.

 
 

Registration Fee:

Free

 
 

Venue:

Science Centre, The Chinese University of Hong Kong, Shatin, N.T., Hong Kong

 
 

Tutorial Courses:

In connection with the ASI, the Physics Department of CUHK will also sponsor one regular course and two tutorial courses, to provide some background for ASI students.

  • Advanced Computational Physics (regular lecture course)
    Lecturer:   Professor Hai-Qing Lin
    Date:   September 5 - December 3, 2005

  • Introduction to ab initio Methods

    A. Introduction to the theory of electronic structure:
    Lectures: 6; Lecturer: Professor Xin-Gao Gong
    Date Time Place (CUHK)  [campus map]
    Nov 14 (MON) 11:30 - 13:15
    14:30 - 15:15
    Room C1, Lady Shaw Building
    LT5, Lady Shaw Building
    Nov 16 (WED) 09:30 - 11:15
    14:30 - 15:15
    Room C1, Lady Shaw Building
    Lecture Theatre L5, Science Centre

    B. Plane waves/Pseudopotentials:
    Lectures: 2; Lecturer: Professor Guang-Yu Guo
    Date Time Place (CUHK)  [campus map]
    Nov 21 (MON) 11:30 - 13:15 Room C1, Lady Shaw Building

    C. Comparison between DFT and post-Hartree-Fock methods:
    Lectures: 1; Lecturer: Professor Zhi-Feng Liu
    Date Time Place (CUHK)  [campus map]
    Nov 21 (MON) 14:30 - 15:15 LT5, Lady Shaw Building

    D. Implementation:
    Lectures: 3; Lecturer: Professors Che-Ting Chan (2 hrs) and K. P. Bohnen (1 hr)
    Date Time Place (CUHK)  [campus map]
    Nov 23 (WED) 09:30 - 12:15 Room 204, Institute of Chinese Studies

  • Introduction to Computational Bioscience

    A. Lectures: 3; Lecturer: Professor Enge Wang
    • First principles calculations and kinetic Monte Carlo methods applied to molecules and surfaces
    • Simulation study of water molecules on surfaces: Hydrogen bonding and phase transitions
    Date Time Place (CUHK)  [campus map]
    Nov 26 (SAT) 09:30 - 10:45
    11:00 - 12:15
    Room 106, Y. C. Liang Hall
    Room 106, Y. C. Liang Hall

    B. Lectures: 3; Lecturer: Professor Yong Duan
    • Introduction to molecular mechanics and molecular dynamics force field, Verlet leap-frog algorithm, temperature and pressure control, calculation of long-range electrostatics, time scales, free energy calculations
    • "Tricks AND treats" - Advanced topics, sampling, simulated annealing, locally enhanced sampling, replica exchange MD, continuum solvent models, etc.
    Date Time Place (CUHK)  [campus map]
    Nov 28 (MON) 11:30 - 13:15
    14:30 - 15:15
    Room C1, Lady Shaw Building
    LT5, Lady Shaw Building

    C. Lectures: 3; Lecturer: Professor Guan-Hua Chen
    • O(N) and O(1) first principles methods for biological molecules
    Date Time Place (CUHK)  [campus map]
    Nov 30 (WED) 09:30 - 11:15
    14:30 - 15:15
    Room C1, Lady Shaw Building
    Lecture Theatre L5, Science Centre

    D. Lectures: 3; Lecturer: Professor Lu-Hua Lai
    • Introduction to structure-based drug design
    • Computational study of ligand-protein binding with applications to protein networks
    Date Time Place (CUHK)  [campus map]
    DEC 3 (SAT) 09:30 - 10:45
    11:00 - 12:15
    Room 106, Y. C. Liang Hall
    Room 106, Y. C. Liang Hall

Tutorial Courses Registration: Please send email to pyho@phy.cuhk.edu.hk to register. In the email please specify your name, institution, year of study, mobile phone number and lectures that you want to attend.

 
 

Enquiries:

pyho@phy.cuhk.edu.hk