| Virtual Nanolab with Quantumwise Toolkit for Nanotechnology
Simulation (24X7)
DST-FIST
(Govt.of India)
INTEGRATED MICROSYSTEMS |
Software for simulation and analysis of atomic scale properties of nanoscale devices.
MASTER AND MASTER 1 SERVER SYSTEMS WITH NODES (Parallel Computing up to three nodes) LICENSE CONFIGURATION INSTALLED VNL-Quantumwise 12.8.2-2 Licenses Electronics structure and electron transport. Calculations on molecules, periodic systems and two probe systems. Ab initio DFT methods.
Quantumwise toolkit capable of modeling electrical properties of nanostructured systems coupled to semi-infinite electrodes.
Calculate transmission spectrum and current-voltage characteristics.
Visualize atomic geometries and calculate physical quantities in 3D.Mulliken population analysis .
Parallelized code (MPICH), specifically optimized for transport calculations (k point sampling on d energy integrals plus matrix element evaluation). |
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GAUSSIAN SINGLE SYSTEM
SCUBE SCIENTIFIC SOFTWARE SOLUTION |
Simulation tool for molecular structure analysis
LICENSE CONFIGURATION INSTALLED
Gaussian 03 and Gauss View 03
Gaussian 03 Simulation Tool Competence Starting from the basic laws of quantum mechanics, Gaussian predicts energies, molecular structures and vibrational frequencies of molecular systems along with numerous molecular properties derived from these basic computation types. Gaussian 03 is used by physicists, chemists, chemical engineers, biochemists and others for research.
GaussView 03 Simulation Tool Competence
GaussView supports all Gaussian 03 features, and it includes graphical facilities for generating keywords and options, molecule specifications and other input sections for even the most advanced calculation types. |
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| Synopsys Technology Computer Aided Design (TCAD)
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Simulation tool for semiconducting nanoelectronic devices.
Process and device simulation tools for technology exploration and development from large scale level to nano scale level.
Software Specification and Features:
Process simulation tool deals with modeling the fabrication steps of semiconductor devices such as transistors and focuses on front end of line manufacturing steps.
Device performance simulation tool simulates the electrical characteristics of semiconductor devices such as response to external electrical, thermal or optical boundary conditions imposed on the structure.
Structure editor is used to create geometric structures for TCAD simulation. |
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| Schrödinger
MATERIALS SCIENCE SUITE
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Integrated solution for atomic-scale simulation of chemical systems Maestro is the portal to all of Schrödinger’s computational technology – far more than just a user interface, Maestro also helps researchers organize and analyze data.
Schrödinger materials science suite-A complete molecular
Molecular simulation package for building molecular models, running quantum mechanical (finite and periodic), molecular dynamics simulation,analysis tools.We can access MS-Maestro, Jaquar,Desmond,Quantum Espresso-GUI.
LICENSE CONFIGURATION INSTALLED
MS-Suite-18-2
Number of Tokens: 20 |
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