Molecular Simulations

Abhijit Chatterjee
Design and synthesis of novel materials for carbon capture: Molecular modeling study
Functional Nanoparticles: Experiments, modeling, simulation
Porous carbon and silica based nanocomposites: Synthesis, dynamics and applications

Intel P4 server

This server is used for running of inhouse codes for simulation of materials.

Web links:
http://www.intel.com/p/en_US/products/server/processor
http://www.intel.com/itcenter/system/server/index.htm?cid=apac:ggl|xeon_in_brand|rd12B26|s

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Silicon graphics fuel workstation

SGI fuel.jpg

Silicon Graphics Fuel features MIPS R16000A™ processor and the VPro™ 3D graphics system for IRIX in a high-bandwidth architecture. It is a uniprocessor system used mainly for molecular modeling and visual graphics.

Weblinks:
http://www.sgi.com/products/workstations/fuel
http://www.mashek.com/SGIsystems/Fuel.php

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Molecular Modelling Software

Materials Studio is a comprehensive materials modeling and simulation application designed for scientists in chemicals and materials R&D as well as pharmaceuticals development. Materials Studio reduces the time needed to solve complex calculations with:
• Industry-leading graphical user environments
• State-of-the-art simulation technology from quantum to atomistic to mesoscale
• Powerful statistical tools for structure-property relationships  read more »

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Matlab Software

Matlab_Logo.png

MATLAB (matrix laboratory) is a numerical computing environment and programming language developed by MathWorks Inc. MATLAB allows matrix manipulations, plotting of functions and data, implementation of algorithms, creation of user interfaces, and interfacing with programs written in other languages, including C, C++, and Fortran. It is also used in interactive data analysis.  read more »

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Molecular Modeling of Elasticity of Spider Silk and Related Biopolymers