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High performance GPU-accelerated ab initio molecular dynamics and TD/DFT software package for very large molecular or even nanoscale systems. Runs on NVIDIA GPUs and 64-bit Linux, has heavily optimized CUDA code. Proprietary, trial licenses available PetaChem LLC: TINKER: I Yes Yes Yes Yes I I Yes Yes Software tools for molecular design-Tinker ...
VTLS Inc. was the offspring of a project launched in 1974 at Virginia Polytechnic Institute and State University's (Virginia Tech’s) Newman Library, a member of the Association of Research Libraries with more than 2 million cataloged volumes. Having explored available library automation alternatives and having found no system suitable for the ...
This is a list of notable computer programs that are used to model nanostructures at the levels of classical mechanics [1] and quantum mechanics. Furiousatoms [2] - a powerful software for molecular modelling and visualization; Aionics.io [3] - a powerful platform for nanoscale modelling; Ascalaph Designer; Atomistix ToolKit and Virtual NanoLab ...
The Biocomplexity Institute of Virginia Tech (formerly the Virginia Bioinformatics Institute) was a research institute specializing in bioinformatics, computational biology, and systems biology. The institute had more than 250 personnel, including over 50 tenured and research faculty.
Graphical user interface-based (GUI) software for simulating and analyzing mass spectrometric data obtained on known bio-polymer sequences. [57] It is a successor to polyxmass and a program of the msXpertSuite software suite. Mestrenova: Proprietary
Advanced Simulation Library - open-source hardware accelerated multiphysics simulation software. ASCEND - open-source equation-based modelling environment. Cantera - chemical kinetics package. Celestia - a 3D astronomy program. CP2K - Open-source ab-initio molecular dynamics program. DWSIM - an open-source CAPE-OPEN compliant chemical process ...
The software is designed to be easy-to-learn for novice users, achieved by ensuring that tools for common tasks are 'discoverable' through familiar user interface elements (menus and toolbars), or by intuitive behaviour (mouse controls).
Materials Studio is software for simulating and modeling materials. It is developed and distributed by BIOVIA (formerly Accelrys), a firm specializing in research software for computational chemistry, bioinformatics, cheminformatics, molecular dynamics simulation, and quantum mechanics.