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Workshop on Mathematical Theory and Computational Methods in Materials Sciences

(10 - 14 Aug 2009)

... Jointly organized with Department of Mathematics
in celebration of 80th Anniversary of Faculty of Science


Venue: IMS Auditorium

 Monday, 10 Aug 2009 (Public Holiday)

08:30am - 09:00am

Registration

09:00am - 09:10am

Opening remarks
Local organizing committee

Chair: Weizhu Bao, National University of Singapore

09:10am - 09:50am

Grain growth, shape, and topology in all dimensions: beyond von Neumann-Mullins
David Srolovitz, Princeton University, USA and Yeshiva University, USA

09:50am - 10:30am

Modelling the heteroepitaxial growth of novel surface nanostructures
Yongwei Zhang, National University of Singapore and
Institute of High Performance Computing

10:30am - 11:00am

--- Group Photo & Coffee Break ---

11:00am - 11:40am

Some issues in the long-time simulation of complex systems
Eric Vanden-Eijnden, Courant Institute, USA

11:40am - 12:20pm

The mathematical understanding of tau-leaping algorithm
Tiejun Li, Peking University, China

12:20pm - 02:00pm

--- Lunch Break ---

Chair: Fanghua Lin, Courant Institute, USA

02:00pm - 02:40pm

Stable solutions to the Lawrence-Doniach equations in tilted magnetic fields
Patricia Bauman, Purdue University, USA

02:40pm - 03:20pm

Meissner states of 3-dimensional superconductors
Xingbin Pan, East China Normal University, China

03:20pm - 03:50pm

--- Coffee Break ---

03:50pm - 04:30pm

The second-order multi-scale simulation for the physics and mechanics behaviors of composites and their structures
Junzhi Cui, Chinese Academy of Sciences, China

04:30pm - 05:10pm

Multi-paradigm simulations at the nanoscale: methodology and applications to functional nano materials
Haibin Su, Nanyang Technological University

Tuesday, 11 Aug 2009

08:45am - 09:00am

Registration

Chair: Qiang Du, Penn State University, USA

09:00am - 09:40am

Topological vorticity and conserved geometric motion
Fanghua Lin, Courant Institute, USA

09:40am - 10:20am

Analysis and computation for the semiclassical limits of the nonlinear Schrodinger equations
Weizhu Bao, National University of Singapore

10:20am - 10:50am

--- Coffee Break ---

10:50am - 11:30am

Homogenization of non-coercive Hamilton-Jacobi equations
Jack Xue Xin, University of California, Irvine, USA

11:30am - 12:10pm

Dynamical self-trapping of Bose-Einstein condensates in shallow optical lattices
Fong Yin Lim, Institute of High Performance Computing

12:10pm - 02:00pm

--- Lunch Break ---

Chair: David Srolovitz, Princeton University, USA and Yeshiva University, USA

02:00pm - 02:40pm

Dynamics of material interfaces
Rohan Abeyaratne, National University of Singapore

02:40pm - 03:20pm

A new version fast multipole method for evaluating the stress field of dislocation ensembles
Yang Xiang, Hong Kong University of Science and Technology, Hong Kong

03:20pm - 03:50pm

--- Coffee Break ---

03:50pm - 04:10pm

A generalization of the MacPherson - Srolovitz formula
Duc Thinh Le, The Pennsylvania State University, USA

04:10pm - 04:30pm

Comparisons between the sine-Gordon equation and perturbed nonlinear Schrodinger equations for modeling light bullets
Xuanchun Dong, National University of Singapore

04:30pm - 05:30pm

Panel Discussion (Opportunity and challenge in MSR)
Leaders:
Rohan Abeyaratne, National University of Singapore
Claude Le Bris, École Nationale Des Ponts Et Chaussées, France
Fanghua Lin, Courant Institute, USA
David Srolovitz, Princeton University, USA and Yeshiva University, USA

06:30pm - 07:30pm

Public Lecture: Roles of Differential Equations in Mathematics and Sciences
Fanghua Lin, Courant Institute, New York University, USA

Venue: LT31, Block S16,
Level 3, Faculty of Science,
National University of Singapore
Singapore 117543

Wednesday, 12 Aug 2009

08:45am - 09:00am

Registration

Chair: Yuan Ping Feng, National University of Singapore

09:00am - 09:40am

On the different phases and dynamical models of liquid crystal
Pingwen Zhang, Peking University, China

09:40am - 10:20am

Smectic energies and existence results for lquid crystals
Daniel Phillips, Purdue University, USA

10:20am - 10:50am

--- Coffee Break ---

10:50am - 11:30am

Blow-up criteria for the Navier-Stokes equations of multidimensional compressible fluids
Song Jiang, Institute of Applied Physics and Computational Mathematics, China

11:30am - 12:10pm

Existence of globally weak solutions to the flow of compressible liquid crystals system
Xian-Gao Liu, Fudan University, China

12:10pm - 02:00pm

--- Lunch Break ---

Thursday, 13 Aug 2009

08:45am - 09:00am

Registration

Chair: Xingbin Pan, East China Normal University, China

09:00am - 09:40am

Some recent theoretical and numerical contributions to stochastic homogenization and related problem
Claude Le Bris, École Nationale Des Ponts Et Chaussées, France

09:40am - 10:20am

Sub-linear scaling algorithms for the study of the electronic structure of material
Carlos Garcia-Cervera, University of California, Santa Barbara, USA

10:20am - 10:50am

--- Coffee Break ---

10:50am - 11:30am

Raman imaging of graphene: from fundamental study to applications
Zexiang Shen, Nanyang Technological University

11:30am - 12:10pm

Interface engineering in high-k gate stacks for nanoelectronic devices
Shi Jie Wang, Institute of Materials Research and Engineering, A*Star

12:10pm - 02:00pm

--- Lunch Break ---

Chair: Yongwei Zhang, National University of Singapore and Institute of High Performance Computing

02:00pm - 02:40pm

Asymptotically correct finite difference schemes for highly oscillatory ODEs
Anton Arnold, Vienna University of Technology, Austria

02:40pm - 03:20pm

A deterministic solver for a hybrid quantum-classical transport model in NanoMOSFETs
Jose A. Carrillo, University Autonoma Barcerona, Spain

03:20pm - 03:50pm

--- Coffee Break ---

03:50pm - 04:30pm

Ab initio methods for quantum transport in macro-molecules
Stefano Sanvito, Trinity College Dublin, Ireland

04:30pm - 05:10pm

Abinitio calculation of entropy and free energy in defected solids
Salvy Russo, RMIT Univeristy, Australia

06:30pm - 09:00pm

Dinner at East Coast Seafood Center (Volunteer and self-paid)

Friday, 14 Aug 2009

08:45am - 09:00am

Registration

Chair: Claude Le Bris, École Nationale Des Ponts Et Chaussées, France

09:00am - 09:40am

Some numerical analysis issues in material and fluids simulations
Jian-Guo Liu, Duke University, USA

09:40am - 10:20am

Boundary treatment, exact Hodge decomposition and the LBB condition for MAC-like schemes on curvilinear domains
Wei-Cheng Wang, National Tsing-hua University, Taiwan

10:20am - 10:50am

--- Coffee Break ---

10:50am - 11:30am

Quantum drift-diffusion models in semiconductor simulation
Li Chen, Tsinghua University, China

11:30am - 12:00nn

Traction and outflow boundary conditions for the incompressible Navier-Stokes equations
Jie Liu, National University of Singapore

12:00nn - 12:05pm

Closing Remarks




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