From: chemistry-request at
To: chemistry-request at
Date: Thu May 30 00:16:22 2013
Subject: 13.11.18 Third International Symposium on Computational Sciences: Advanced Methods, Software and HPC Architectures, and Their Applications in Computational Material and Biological Sciences, Shanghai, China
You are cordially invited to participate in the "Third International Symposium on Computational 
Sciences"  ( to be held in 
Shanghai, China from November 18-20, 2013.

In recent years, we have witnessed the tremendous development of the computational methods 
and their applications in chemistry, material and biological sciences. Computational methods are 
now well established necessary research tools e.g. in drug discovery and development endeavors of 
the biotechnology and pharmaceutical industries.  

The computational methods today use quantum mechanics, molecular mechanics, and numerical 
simulations to investigate molecular systems.  Each of these methods involve approximations in 
order to address the issues of accuracy, size and dynamics of the system to be investigated.  

As far as the computer hardware concerned, limited computational resources remain still a serious 
obstacle to the application of these method at a high level of accuracy when they are applied for 
complex realistic problems of widespread importance, such as the design of more effective drugs 
to treat diseases or new catalysts which can be used in applications such as fuel cells. New and 
more effective algorithms and also the exploration of new computer architectures like 
GPUs (Graphic Process Units)  and FPGAs (Field programmable Gate Arrays) have emerged and 
are rapidly developed for the use in cost-efficient high performance computing (HPC). 

The main themes of ISCS2013 will be:

Quantum mechanical methods, 
Simulations of material and biological systems, 
Methodological development of DFT functionals, 
New techniques in material sciences, 
New hardware architectures and devices for High performance Computing,
Software development of GPU or FPGA based modelling and computations,
New opportunities in business development and commercialisation.

If you would like to attend the symposium, please register online via our web site .
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