Institute for Mathematical Sciences Event Archive

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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

National University of Singapore

Institute for Mathematical Sciences Event Archive

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

(9 - 13 Feb 2015)