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Workshop 1
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Workshop 2
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Workshop on Challenges and Advances in Computational Materials Simulations and Design
(20 - 24 Jul 2009)

Organizing Committee · Visitors and Participants · Overview · Activities · Funding for Young Scientists

Venue: IMS Auditorium

Monday, 20 Jul 2009
08:30am - 09:00am	Registration
09:00am - 09:10am	Opening remarks Local organizing committee Chi Tat Chong, National University of Singapore Andrew Wee, National University of Singapore
	Chair: Weizhu Bao, National University of Singapore
09:10am - 09:50am	Topics in surface and nanoscale science Andrew Wee, National University of Singapore
09:50am - 10:20am	Molecular self-assembly on surfaces and surface nanotemplates Wei Chen, National University of Singapore
10:20am - 10:50am	--- Group Photo & Coffee Break ---
10:50am - 11:30am	Modeling nanoelectronics from atomic first principles Hong Guo, McGill University, Canada
11:30am - 12:10pm	Material prediction based on first principles method (PPT) Yuan Ping Feng, National University of Singapore
12:10pm - 02:00pm	--- Lunch Break ---
	Chair:Yuan Ping Feng, National University of Singapore
02:00pm - 02:40pm	Quantum thermal transport from classical molecular dynamics Jian-Sheng Wang, National University of Singapore
02:40pm - 03:20pm	Coarse-graining molecular dynamics for crystalline solids (PDF) Xiantao Li, Penn State University, USA
03:20pm - 03:50pm	--- Coffee Break ---
03:50pm - 04:30pm	Dynamic density functional theory and approximations to model crystalline materials Axel Voigt, Technische Universit, Dresden, Germany
04:30pm - 05:00pm	Brillouin light scattering from nanostructures Zhikui Wang, National University of Singapore
05:00pm - 05:30pm	Event-by-event Monte Carlo simulations: Spatial resolution limits of MeV protons & keV electrons Chammika N B Udalagama, National University of Singapore

Tuesday, 21 Jul 2009
08:45am - 09:00am	Registration
	Chair: Qiang Du, Penn State University, USA
09:00am - 09:40am	Microscopic origins of continuum balances and peridynamics (PDF) Richard B. Lehoucq, Sandia National Labs, USA
09:40am - 10:20am	A nonlocal vector calculus with application to nonlocal boundary value problems (PDF) Max Gunzburger, Florida State University, USA
10:20am - 10:50am	--- Coffee Break ---
10:50am - 11:30am	Heat/Phonon transport in nanostructures and Phononics Baowen Li, National University of Singapore
11:30am - 12:10pm	The first-principles electronic structure calculations based on finite element discretizations Aihui Zhou, Institute of Computational Mathematics and Scientific/Engineering Computing, China
12:10pm - 02:00pm	--- Lunch Break ---
	Chair: Max Gunzburger, Florida State University, USA
02:00pm - 02:40pm	Massively parallel algorithms for the simulation of complex flows Ulrich Ruede, University Erlangen-Nuremberg, Germany
02:40pm - 03:20pm	Phase-field models for multiphase complex fluids: modeling, numerical analysis and simulations (PDF) Jie Shen, Purdue University, USA
03:20pm - 03:50pm	--- Coffee Break ---
03:50pm - 04:30pm	Predictive atomistic and coarse-grained modeling of epitaxial thin film growth Jim Evans, Iowa State University, USA
04:30pm - 05:10pm	Gate controlled non-volatile graphene ferroelectric memory and spin injection into graphene via MgO barriers Barbaros Oezyilmaz, National University of Singapore

Wednesday, 22 Jul 2009
08:45am - 09:00am	Registration
	Chair: Ulrich Ruede, University Erlangen-Nuremberg, Germany
09:00am - 09:40am	Interfaces, surface energy and solid phase transformations John Ball, University of Oxford, UK
09:40am - 10:20am	A level-set method for self-organized pattern formation during heteroepitaxial growth Christian Ratsch, University of California, Los Angeles, USA
10:20am - 10:50am	--- Coffee Break ---
10:50am - 11:30am	Analytical and computational challenges in kinetic models of dilute polymers Endre Suli, University of Oxford, UK
11:30am - 12:10pm	Long-time asymptotic behaviour of a multiscale rod-like model of polymeric fluids Hui Zhang, Beijing Normal University, China
12:10pm - 02:00pm	--- Lunch Break ---
	Chair: John Barrett, Imperial College, UK
02:00pm - 02:40pm	Computational surface partial differential equations Charles Elliott, University of Warwick, UK
02:40pm - 03:20pm	Quantum simulation of materials at micron scales and beyond Gang Lu, California State University Northridge, USA
03:20pm - 03:50pm	--- Coffee Break ---
03:50pm - 04:30pm	Design of materials for sustainable manufacturing by computer modeling Ping Wu, Institute of High Performance Computing
04:30pm - 05:00pm	An adaptive level set method for moving curves and its application to dislocation dynamics (PDF) Hanquan Wang, Yunnan University of Finance and Economics, China
05:00pm - 05:30pm	Numerical simulation of coupled surface and grain boundary motion Zhenguo Pan, National University of Singapore
06:30pm - 07:30pm	Public Lecture: Mathematics in the Public Eye - The Story of Perelman and the Poincaré Conjecture John Ball, University of Oxford, UK Venue: LT31, Block S16, Level 3, Faculty of Science, National University of Singapore Singapore 117543

Thursday, 23 Jul 2009
08:45am - 09:00am	Registration
	Chair: Charles Elliott, University of Warwick, UK
09:00am - 09:40am	Parametric approximation of geometric evolution equations John Barrett, Imperial College, UK
09:40am - 10:20am	Dynamic transition theory and equilibrium phase transitions (PDF) Shouhong Wang, Indiana University, USA
10:20am - 10:50am	--- Coffee Break ---
10:50am - 11:30am	Phase field simulations of two phase fluid flow Xiao Ping Wang, Hong Kong University of Science and Technology, Hong Kong
11:30am - 12:10pm	POD and CVT based reduced-order modeling for partial differential equations (PDF) Hyung Chun Lee, Ajou University, Korea
12:10pm - 02:00pm	--- Lunch Break ---
	Chair: Ping Wu, Institute of High Performance Computing
02:00pm - 02:40pm	Ferroelectric crossovers in Pb_0.7La_0.2TiO₃ triggered by A-site substitution John Wang, National University of Singapore
02:40pm - 03:20pm	Topological insulators and their spintronics applications (PPT) Xue Sen Wang, National University of Singapore
03:20pm - 03:50pm	--- Coffee Break ---
03:50pm - 04:20pm	Coarsening of island distributions on surfaces: Ostwald vs Smoluchowski vs unconventional ripening pathways Jim Evans, Iowa State University, USA
04:20pm - 04:50pm	Analysis and computation for the ground states of two-component Bose-Einstein condensates with an external driving field (PDF) Yongyong Cai, National University of Singapore
04:50pm - 05:40pm	Panel Discussion (Opportunity and challenge in MSR) Leaders: John Ball, University of Oxford, UK Max Gunzburger, Florida State University, USA Ulrich Ruede, University Erlangen-Nuremberg, Germany
06:30pm - 09:00pm	Dinner at East Coast Seafood Center (Volunteer and self-paid)

Friday, 24 Jul 2009
08:45am - 09:00am	Registration
	Chair: Jie Shen, Purdue University, USA
09:00am - 09:40am	Binding and patterning of organic molecules on silicon surfaces (PPT) Guo Qin Xu, National University of Singapore
09:40am - 10:20am	Metallic glasses: it’s all in the mix Yi Li, National University of Singapore
10:20am - 10:50am	--- Coffee Break ---
10:50am - 11:30am	Surface diffusions on elastically stressed axisymmetric rods Xiao Fan Li, Illinois Institute of Technology, USA
11:30am - 12:10pm	Tailored finite point method for high frequency waves in heterogeneous medium Zhongyi Huang, Tsinghua University, China
12:10pm - 12:15pm	Closing remarks

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