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Program Schedule
Updated as of 17 Dec 2018
Click here for quick reference of the venues
Dec 17 | Dec 18 | Dec 19 | Dec 20 | Dec 21
Dec 17 (Mon)
Venue: LSK3003, Kangxin Classroom, 3/F, Lee Shau Kee Business Building, Lee Shau Kee Campus, HKUST
|
Time |
Event |
| 09:00-10:00 |
Registration & Refreshment (Venue: Open area, 3/F) |
Session 01
Chair: John S. TSE (University of Saskatchewan) |
| 10:00-10:10 |
Welcome Remarks
Andrew G COHEN (The Hong Kong University of Science and Technology;
IAS Director) |
| 10:10-11:00 |
Coupling Advanced Sampling and Quantum Simulation Methods
[Abstract]
Giulia GALLI (The University of Chicago) |
| 11:00-11:40 |
Nearly Exact Molecular Dynamics with Quantum Chemistry and Machine Learning
[Abstract]
Alexandre TKATCHENKO (Université du Luxembourg) |
| 11:40-14:00 |
Lunch (By invitation; Venue: IAS Lounge, 5/F) |
Session 02
Chair: Seiichiro TEN-NO (Kobe University) |
| 14:00-14:50 |
Flexible Wavefunction Ansatze for Strong Electron Correlation
[Abstract]
Paul AYERS (McMaster University) |
| 14:50-15:30 |
Quantum Algorithms for Electronic Structure
Garnet CHAN (California Institute of Technology; HKUST IAS Visiting
Professor) |
| 15:30-16:00 |
Coffee
Break (Venue: Open area, 3/F) |
| 16:00-16:50 |
Attacking the Strong and Weak Scaling Limits in Linear Scaling Hybrid Density Functional Theory
[Abstract]
Robert A. DISTASIO JR. (Cornell University) |
| 16:40-17:20 |
New Frontiers in Multireference Molecular Simulations
[Abstract]
Toru SHIOZAKI (Northwestern University) |
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Dec 18 (Tue)
Venue: LSK3003, Kangxin Classroom, 3/F, Lee Shau Kee Business Building, Lee Shau Kee Campus, HKUST
|
Time |
Event |
Session 03
Chair: Paul AYERS (McMaster University) |
| 09:00-09:50 |
Some Recent Developments in Quantum Chemical Methods for Treating
Electron
Correlations
[Abstract]
Martin HEAD-GORDON (University of California, Berkeley) |
| 09:50-10:30 |
Towards Efficient Reduced-Scaling Coupled-Cluster Methods for Ground and Excited States
Edward VALEEV (Virginia Polytechnic Institute and State University) |
| 10:30-11:00 |
Coffee
Break (Venue: Open area, 3/F) |
| 11:00-11:40 |
Double Hybrid Functionals Based on the Adiabatic Connection Formalism
[Abstract]
XU Xin (Fudan University) |
| 11:40-12:20 |
Explicit Analytical OSV-MP2 Energy Gradients For Molecular Dynamical Properties
[Abstract]
YANG Jun (The University of Hong Kong) |
| 12:20-12:30 |
Group Photo (Venue: IAS Lobby) |
| 12:30-14:00 |
Lunch (By invitation; Venue: IAS Lounge, 5/F) |
Session 04
Chair: Giulia GALLI (The University of Chicago) |
| 14:00-14:50 |
Ab Initio Theory and Computation of Correlated Multiple-Particle Excitations in Materials
[Abstract]
Steven G. LOUIE (University of California, Berkeley; HKUST IAS Visiting Professor) |
| 14:50-15:30 |
All-electron, Periodic GW and RPA Methods Within a Numeric Atom-centered Basis Set Framework
[Abstract]
REN Xinguo (University of Science and Technology of China) |
| 15:30-16:00 |
Coffee
Break (Venue: Open area, 3/F) |
| 16:00-16:40 |
Accurate Ground-state Correlation Energies within the RPA and Beyond: From Theory to Realistic Applications
[Abstract]
Dario ROCCA (Université de Lorraine) |
| 16:40-17:20 |
Numerically Accurate GW Approach to Electronic Band Structure of Weakly and Strongly Correlated Materials
[Abstract]
JIANG Hong (Peking University) |
| 17:20-17:45 |
Short Break |
| 18:30-21:00 |
Conference Dinner (Location: Tsim Sha Tsui)
Note: Coach will depart from Lee Shau Kee Business Building at 17:45 |
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Dec 19 (Wed)
Venue: IAS Lecture Theater, G/F, Lo Ka Chung Building, Lee Shau Kee Campus, HKUST
|
Time |
Event |
| 09:30-10:00 |
Refreshment (Venue: IAS Lobby, G/F) |
Session 05
Chair: Tom MARKLAND (Stanford University) |
|
10:00-10:50 |
Unusual Chemical Structures and Properties of Materials under Extreme Pressure
Conditions [Abstract]
John S. TSE (University of Saskatchewan) |
| 10:50-11:30 |
Image Potential State from van der Waals Density Functional
[Abstract]
Ikutaro HAMADA (Osaka University) |
| 11:30-12:10 |
Raman Spectroscopy and Molecular Polarizabilities at Finite Temperature from First Principles
[Abstract]
PAN Ding (The Hong Kong University of Science and Technology) |
| 12:10-12:30 |
Short Break |
| 12:30-14:00 |
Lunch (Venue:
IAS Lobby, G/F) |
Session 06
Chair: Alexandre TKATCHENKO (Université du Luxembourg) |
| 14:00-14:40 |
Iterative Configuration Interaction With Selection
[Abstract]
LIU Wenjian (Peking University)
|
| 14:40-15:20 |
Development of Quantum Mechanics/Molecular Mechanics Method combined with Resolution-Adapted and Neural Network Models
[Abstract]
Lin SHEN (Beijing Normal University) |
| 15:20-16:00 |
Coffee
Break (Venue: IAS Lobby, G/F) |
| 16:00-16:40 |
Stochastic and Deterministic Methods for Selected Coupled-cluster
[Abstract]
Seiichiro TEN-NO (Kobe University) |
| 16:40-17:20 |
Stochastic Coupled Cluster: Towards the solid state
Alexander THOM (University of Cambridge) |
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Dec 20 (Thu)
Venue: IAS Lecture Theater, G/F, Lo Ka Chung Building, Lee Shau Kee Campus, HKUST
|
Time |
Event |
Session 07
Chair: Robert A. DISTASIO JR. (Cornell University) |
| 09:00-09:50 |
Full Quantum Nature of Interfacial Water
[Abstract]
WANG Enge (Peking University) |
| 09:50-10:30 |
Decoding the Spectroscopic Features and Timescales of Solvated Proton Defects
[Abstract]
Tom MARKLAND (Stanford University) |
|
10:30-11:00 |
Coffee
Break (Venue:
Lobby, G/F) |
| 11:00-11:40 |
Why Does Hydronium Diffuse Faster Than Hydroxide in Liquid Water
[Abstract]
WU Xifan (Temple University) |
|
11:40-12:20 |
Quantum Mechanics of Open Systems: A Statistical Quasi-Particle
Approach [Abstract]
YAN Yijing (University of Science and Technology
of China) |
| 12:20-14:00 |
Lunch (Venue:
UniQue, 2/F, Conference Lodge) |
Session 08
Chair: Garnet CHAN (California Institute of Technology; HKUST IAS Visiting Professor) |
|
14:00-14:50 |
Neural Network based Density-functional Theory
CHEN Guanhua (The University of Hong Kong) |
|
14:50-15:30 |
‘Static’ Mean-field Theory, ‘Dynamical’ Mean-field Theory, and ‘Static Dynamical’ Mean-field Theory
[Abstract]
George BOOTH (King's College London) |
| 15:30-16:00 |
Coffee
Break (Venue:
Lobby, G/F) |
| 16:00-16:40 |
Regional DMET—Efficient and Accurate Single-Fragment Embedding of Wave Functions in Kohn-Sham DFT
[Abstract]
Gerald KNIZIA (Pennsylvania State University) |
|
16:40-17:20 |
Many-body Effects in Oxygen Transport Proteins: A Dynamical Mean-field Theory Study
[Abstract]
Cedric WEBER (King's College London) |
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Dec 21 (Fri)
Venue: IAS Lecture Theater, G/F, Lo Ka Chung Building, Lee Shau Kee Campus, HKUST
|
Time |
Event |
Session 09
Chair: Cedric WEBER (King's College London) |
| 09:00-09:40 |
Fast and Accurate Quantum Monte Carlo for Molecular Crystals
[Abstract]
Andrea ZEN (University College London) |
| 09:40-10:20 |
Stochastic Methods for Electronic Structure
[Abstract]
Roi BAER (The Hebrew University of Jerusalem) |
|
10:20-10:50 |
Coffee
Break (Venue:
Lobby, G/F) |
|
10:50-11:30 |
Self-learning Monte Carlo Method and Cumulative Update
[Abstract]
LIU
Junwei (The Hong Kong University of Science and Technology) |
|
11:30-12:10 |
First Principle Calculation of the Zeeman's Effect, Spin Zero Effect and Quantum Oscillation in Topological Materials
[Abstract]
DAI Xi (The Hong Kong University of Science and Technology) |
| 12:10-14:00 |
Lunch (Venue:
UniQue, 2/F, Conference Lodge) |
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