December 6 (Tuesday) Registration
Registration: Room G25, Ground Floor, Science Centre North Block
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| December 7 (Wednesday) [Venue: L2, Science Centre]
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| 8:00 am |
Assemble in hotel lobby |
| 8:30 am |
Light breakfast |
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Opening and Overviews
Session Chair: H. Q. Lin |
| 9:00 am |
K. Young and H. Q. Lin: Opening |
| 9:30 am |
D. P. Landau: Overview of Current Status in Simulation of Classical Systems |
| 10:30 am |
Tea break; registration |
| 11:00 am |
R. Car: Overview of Current Status in Simulation of Quantum Systems |
| 12:00 pm |
Lunch; discussions; e-mail; registration |
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Topic: First Principles Calculations
Session Chair: D. S. Wang |
| 2:00 pm |
S. G. Louie: First Principles Ground- and Excited-State Calculations: DFT, GW and Beyond |
| 3:00 pm |
R. Car: Exploring DFT Potential Energy Surfaces: String and Metadynamics Approaches |
| 4:00 pm |
Tea break |
| Session Chair: Q. Q. Zheng |
| 4:30 pm |
J. Tse: A Perspective on the Crystal Structures of High Pressure Elements and Their Properties |
| 5:15 pm |
Z. F. Liu: First-principles Method for Open System |
| Session Chair: Z. F. Liu |
| 12:00 pm - |
6:00 pm Poster Presentation: Ab initio Methods [display for 2 days] |
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K. W. Chan: Mg+ in Different Solvation Clusters (NH3 and CH3OH) |
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L. W. Deng: First-principles Study of Orthorhombic Perovskites up to 120GPa and the Geophysical Implications |
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B. Gao: Size-dependent Charge Separation Reaction for Hydrated Sulfate di-anion Cluster, SO42- (H2O)n, with n=3-7 |
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L. Lau: Oxidation Of Si(100) And Ge(100) Surface by Single Oxygen Molecule |
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H. Liu: Molecular Dynamics Simulations of Liquid Nitromethane under High Pressure and at High Temperature |
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J. W. Liu: Chemisorption of H2 on Solid C60 under High Pressure |
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H. B. Su: Confinement and Catalysis in Formation of Tubular Fullerene Structures from Peapod Structures |
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L. F. Xu: Ab initio Study of Hygroscopic Properties of Borate Crystals |
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Z. Zeng: Magnetic and Spectral Properties of NaxCoO2 |
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L. Zhang: Equation of State of MgO up to 200GPa and 3000K: Combination of First-Principles Simulations and Experimental Data |
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Q. J. Zhang: Investigation of [2+2] Concerted Cycloaddition Mechanism for Unsaturated Hydrocarbon Chemisorption on Si(100) |
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| 6:00 pm & 7:00 pm Bus to hotel |
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| December 8 (Thursday) [Venue: L2, Science Centre or Room 707, Mong Man Wai Building] |
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| 8:00 am |
Assemble in hotel lobby |
| 8:30 am |
Light breakfast |
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Topic: Many-body Systems
Session Chair: S. P. Feng |
| 9:00 am |
D. M. Ceperley: Quantum Monte Carlo Simulation of Many-body Systems |
| 10:20 am |
Tea break |
| 10:40 am |
J. E. Gubernatis: Quantum Monte Carlo for Electrons on a Lattice: Introduction and Methods |
| 12:00 pm |
Lunch; discussions; e-mail |
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Topic: First Principles Calculations
Session Chair: Z. F. Liu |
| 2:00 pm |
S. G. Louie: Quasiparticle Excitations and Optical Response of Bulk and Reduced-Dimensional Systems |
| 3:00 pm |
C. T. Chan: Applying Electronic Structure Techniques to Photonic Calculation |
| 3:30 pm |
Tea break |
| Session Chair: C. T. Chan |
| 3:50 pm |
Z. Fang: First-principles Studies for the Anomalous Hall Effect and Spin Hall Effect |
| 4:20 pm |
G. Y. Guo: Ab initio Calculations as a Tool for Discovery: Charge-orbital Ordering and Verwey Transition in Magnetite. |
| 4:50 pm |
J. L. Yang: First-principles Studies of BN Nanotubes |
| 5:20 pm |
H. Sun:Ideal Strengths of Super-Hard Materials |
| Session Chair: Z. F. Liu |
| 9:00 am - 6:00 pm Poster Presentation: Ab initio Methods (continues) |
| 6:00 pm & 7:00 pm Bus to hotel |
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| December 9 (Friday) [Venue: L2, Science Centre]
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| 8:00 am |
Assemble in hotel lobby (assemble in hotel lobby)
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| 8:30 am |
Light breakfast |
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Topic: First Principles Calculations and Classical Monte Carlo
Session Chair: G. H. Chen |
| 9:00 am |
R. Car: First Principles Molecular Dynamics: Applications to Water |
| 9:50 am |
S. G. Louie: Deriving Insights from Computation: Molecular Electronics to Self-trapped Excitons |
| 10:40 am |
Tea break |
| Session Chair: J. S. Wang |
| 11:00 am |
D. P. Landau: Dynamic Scaling of Surface Growth in Simple Lattice Models |
| 12:00 pm |
Lunch; discussions; e-mail |
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Topic: Computational Studies of Macromolecules
Session Chair: L. H. Tang |
| 2:00 pm |
Y. Duan: Physics-based All-atom Simulations of Protein Folding and Aggregation |
| 2:30 pm |
L. H. Lai: The Metabolic Network of Arachidonic Acid and Implications for Drug Design |
| 3:00 pm |
Q. Quyang: The Cell-cycle Dynamics of the Budding Yeast |
| 3:30 pm |
Tea Break |
| Session Chair: Z. Zeng |
| 3:50 pm |
E. Wang: A Molecular Picture of Water Solid Interaction |
| 4:20 pm |
X. C. Zeng: Water, Ice, and Bubble at Nanoscales |
| 4:50 pm |
X. G. Gong: Constant Pressure MD Method and Its Application to Nano-cluster and Nano-tubes |
| 5:20 pm |
Z. F. Liu: Links between Electron Microsolvation and Size Dependent Reactivity in Hydrated Mg+ and Na Clusters |
| 6:00 pm & 7:00 pm Bus to hotel |
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| December 10 (Saturday) [Venue: L2, Science Centre] |
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| 8:00 am |
Assemble in hotel lobby (assemble in hotel lobby) |
| 8:30 am |
Light breakfast |
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Topic: Quantum Many-body Systems/Quantum Computing
Session Chair: X. C. Xie |
| 9:00 am |
D. M .Ceperley: Quantum Monte Carlo Simulation of Many-body Systems |
| 10:00 am |
Tea break |
| Session Chair: Y. D. Zhang |
| 10:20 am |
A. C. C. Yao: Quantum Algorithms |
| 12:00 pm |
Lunch; discussions; e-mail |
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Topic: Simulation of Classical Systems
Session Chair: E. G. Wang |
| 2:00 pm |
D. P. Landau: The Search for Spin Waves in Iron above Tc: Spin Dynamics Simulations |
| 3:00 pm |
B. Zheng: Monte Carlo Simulations of Phase Transitions - From Equilibrium to Non-equilibrium State |
| 3:30 pm |
Tea break |
| Session Chair: Y. P. Wang |
| 3:50 pm |
J. S. Wang: Worm Algorithms |
| 4:20 pm |
L. H. Tang: Multicanonical Methods Applied to 2D XY Models |
| Session Chair: H. Q. Lin |
| 9:00 am - |
6:00 pm Poster Presentation: Many-body Systems/Quantum Information [display for 2 days] |
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C. K. Chan: Spectral Methods and Their Applications |
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K. Chang: Rashba Spin-orbit Interaction and Spin Transport in Semiconductor Quantum Wells |
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X. J. Chen: How the Superconducting Transition Temperature Varies in Cuprate Superconductors |
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Y. G. Chen: Second- to First-order Transition in Two Coupled Antiferromagnetic Molecular Rings |
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R. Fan: Variational Monte Carlo Study of Na0.3CoO2.1.3H2O Superconductivity |
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Y. L. Liu: Universal Power-law Behavior of Local Electron Correlation Functions in the Falicov-Kimball Lattice Model |
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K. M. Tam: Functional Renormalization Group Analysis of the Half-filled One-dimensional Holstein-Hubbard Model |
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Y. Q. Wang: Numerical Study of Magnetism in the Periodic Anderson Model |
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Y. Z. Zhang: Phase Transition in Checkerboard Lattice |
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L. J. Zou: Orbital Fluctuations & Orbital Ordering in Strongly Correlated Systems: Linearized Dynamical Mean-field Theory & Self-consistent-field Cluster Approach |
| 5:00 pm - 5:30 pm Photo taking |
| 5:30 pm Bus to banquet |
| 6:00 pm Banquet |
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| December 11 (Sunday) Sight-seeing Tour |
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| December 12 (Monday) [Venue: L2, Science Centre] |
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| 8:00 am |
Assemble in hotel lobby (assemble in hotel lobby) |
| 8:30 am |
Light breakfast |
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Topic: "Exact Numerical Approach" to Quantum Many-body Systems
Session Chair: F. C. Zhang |
| 9:00 am |
T. K. Lee: Superfluid and Supersolid Phases in Spin-dimer Model |
| 9:30 am |
P. Prelovsek: Finite Temperature Dynamics of Strongly Correlated Electrons: Anomalous Properties of Cuprates |
| 10:00 am |
A. W. Sandvik: Quantum Monte Carlo Simulation in the Valence Bond Basis |
| 10:30 am |
Tea break |
| Session Chair: C. D. Gong |
| 10:50 am |
J. M. Dong: Possible Tube-like Gold Clusters Au24 and Au26 |
| 11:20 am |
T. Xiang: Recent Progress in Density Matrix Renormalization Group |
| 11:50 am |
X. Q. Wang: Density Matrix Renormalization Group Method and Its Perspectives |
| 12:20 pm |
Lunch; discussions; e-mail |
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Topic: Quantum Many-body Systems and Quantum Computing
Session Chair: T. Xiang |
| 2:00 pm |
J. E. Gubernatis: Quantum Monte Carlo for Electrons on a Lattice: Applications and Issues |
| 3:00 pm |
G. Ortiz: Simulating Physical Phenomena with a Quantum Computer |
| 3:40 pm |
Tea break |
| Session Chair: J. E. Gubernatis |
| 4:00 pm |
Panel Discussions on Future Developments and Summary |
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D. P. Landau (MC); J. Tse (Ab initio), D. M. Ceperley (QMC) |
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L. Yu: Summary |
| 6:00pm & 7:00 pm Bus to Hotel |