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Workshop on High Performance and Parallel Computing Methods and Algorithms for Materials Defects

(9 - 13 Feb 2015)

Venue: IMS Auditorium (9-10 Feb, 11 Feb morning, 12-13 Feb 2015)
Venue: Blk S17, #04-06, SR1, Department of Mathematics, NUS (11 Feb 2015 afternoon)


Organizing Committee · Visitors and Participants · Overview · Activities · Venue

 

Monday, 9 Feb 2015

08:50am - 09:00am

Registration

09:00am - 09:10am

Opening Remarks

Weizhu Bao, National University of Singapore & Ulrich Rüde, University Erlangen-Nuremberg, Local Organizing Comittee
Chi Tat Chong, Director of Institute for Mathematical Sciences

 

Chair: Weizhu Bao, National University of Singapore

09:10am - 10:10am

Rethinking defect structure (PDF)
David Srolovitz, University of Pennsylvania, USA and Penn Institute for Computational Science, USA

10:10am - 10:40am

--- Group Photo & Coffee Break ---

10:40am - 11:40am

Dislocation climb in discrete dislocation dynamics
Yang Xiang, Hong Kong University of Science and Technology, Hong Kong

11.40am - 12:20pm

Discrete dislocation dynamics model for deformation in polycrystals
Siu Sin Quek, Institute of High Performance Computing

12:20pm - 02:00pm

--- Lunch Reception at IMS ---

 

Chair: Yang Xiang, Hong Kong University of Science and Technology, Hong Kong

02:00pm - 03:00pm

Quantum continuum mechanics for many-body systems
Giovanni Vignale, University of Missouri, USA

03:00pm - 03:30pm

--- Coffee Break ---

03:30pm - 04:30pm

Dynamics characteristic of solitons for Davey-Stewartson system (PDF)
Jian Zhang, Sichuan Normal University, China

04:30pm - 05:10pm

Stability and instability of standing waves for the nonlinear fractional Schrödinger equation (PDF)
Shihui Zhu, Sichuan Normal University, China

06:30pm - 07:30pm

Public Lecture: Bubbles-Foams, Grains-Metals: Curvature Flow in Cellular Materials
Speaker: David J. Srolovitz, University of Pennsylvania, USA and Penn Institute for Computational Science, USA
Venue: Possibility Room, Level 5, National Library Building, 100 Victoria Street, Singapore 188064

Tuesday, 10 Feb 2015

08:50am - 09:00am

Registration

 

Chair: Ulrich Rüde, University Erlangen-Nuremberg, Germany

09:00am - 10:00am

Phonon and electron transport in nanostructures and crystal solids (PDF)
Jian-Sheng Wang, National University of Singapore

10:00am - 10:30am

--- Coffee Break ---

10:30am - 11:30am

Mathematical models and numerical methods for Bose-Einstein condensation (PDF)
Weizhu Bao, National University of Singapore

11.30am - 12:10pm

A regularized newton method for computing ground states of Bose-Einstein condensates (PDF)
Xinming Wu, Fudan University, China

12:10pm - 02:00pm

--- Lunch ---

 

Chair: Jian Zhang, Sichuan Normal University, China

02:00pm - 03:00pm

Towards high resolution 3D computations of quantum turbulence in Bose-Einsten condensates
Ionut Danaila, Université de Rouen, France

03:00pm - 06:00pm

Tour to Gardens by the Bay (Volunteer and self-paid)

Wednesday, 11 Feb 2015

Venue: IMS Auditorium

08:50am - 09:00am

Registration

 

Chair: David Srolovitz, University of Pennsylvania, USA and Penn Institute for Computational Science, USA

09:00am - 10:00am

Existence, stability and dynamics of solitary waves, vortices and vortex rings in Bose-Einstein condensates: from theory to experiments (PDF)
Panayotis Kevrekidis, University of Massachusetts, USA

10:00am - 10:30am

--- Coffee Break ---

10:30am - 11:30am

Fast numerical methods for electronic structure calculations (PDF)
Chao Yang, Lawrence Berkeley National Laboratory, USA

11.30am - 12:10pm

A parallel orbital-updating approach for electronic structure calculations
Xiaoying Dai, Chinese Academy of Sciences, China

12:10pm - 02:00pm

--- Lunch ---

Venue: Blk S17, #04-06, SR1, Department of Mathematics, NUS

 

Chair: Defeng Sun, National University of Singapore

02:00pm - 03:00pm

Variational principles and computation of linear response eigenvalue problems with application to excited state calculations (PDF)
Zhaojun Bai, University of California, USA

03:00pm - 03:30pm

--- Coffee Break ---

 

Chair: Weiqing Ren National University of Singapore and Institute of High Performance Computing, A*STAR

03:30pm - 04:30pm

Solving eigenvalue problems in Kohn-Sham DFT theory
Weiguo Gao, Fudan University, China

04:30pm - 05:10pm

The role of substrate impurity on catalytic activity of supported gold catalysts: an ab initio computational study
Chun Zhang, National University of Singapore

Thursday, 12 Feb 2015

08:50am - 09:00am

Registration

 

Chair: Zhaojun Bai, University of California, USA

09:00am - 10:00am

Adaptive finite element approximations for density functional models (PDF)
Aihui Zhou, Chinese Academy of Sciences, China

10:00am - 10:30am

--- Coffee Break ---

10:30am - 11:30am

Optimization in electronic structure calculation (PDF)
Zaiwen Wen, Peking University, China

11.30am - 12:10pm

Coupling molecular dynamics and first-principle electronic structure modeling of disordered heterostructures (PDF)
Olle Heinonen, Argonne National Laboratory, USA

12:10pm - 02:00pm

--- Lunch ---

 

Chair: Weiqing Ren, National University of Singapore and Institute of High Performance Computing, A*STAR

02:00pm - 03:00pm

Parallel treecode for boundary integral method in growth of elastically stressed precipitates (PDF)
Xiaofan Li, Illinois Institute of Technology, USA

03:00pm - 03:30pm

--- Coffee Break ---

03:30pm - 04:30pm

A rescaling scheme and its applications in moving boundary problems (PDF)
Shuwang Li, Illinois Institute of Technology, USA

04:30pm - 05:10pm

Mathematical models and simulations for solid-state dewetting problems
Wei Jiang, Wuhan University, China

06:00pm - 09:00pm

Workshop Dinner at Jumbo Seafood Restaurant, East Coast Seafood Center
(Volunteer and self-paid)

Friday, 13 Feb 2015

08:50am - 09:00am

Registration

 

Chair: Aihui Zhou, Chinese Academy of Sciences, China

09:00am - 10:00am

An augmented singular transform and its partial Newton method for finding new solutions (PDF)
Ziqing Xie, Hunan Normal University, China

10:00am - 10:40am

Multiscale methods and analysis for highly oscillatory differential equations (PDF)
Xiaofei Zhao, National University of Singapore

10:40am - 11:10am

--- Coffee Break ---

11.10am - 11:50am

Theory based construction of atomistic/continuum coupling methods (PDF)
Lei Zhang, Shanghai Jiao Tong University, China

11.50am - 12:30pm

On adaptive methods in heterogeneous media (PDF)
Jed Brown, Argonne National Laboratory, USA

12:30pm - 12:35pm

Closing Remarks


Organizing Committee · Visitors and Participants · Overview · Activities · Venue

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