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Tags: molecular modeling

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  1. [Illinois] Optimizing Physisorption of Biomolecules to Surfaces and Nanoparticles via Molecular Modeling

    18 Nov 2015 | Online Presentations | Contributor(s): NanoBio Node

    Professor Yingling is an associate Professor of Materials Science and Engineering, Biomedical Engineering of UNC-CH & NCSU and the Department of Chemistry at Duke University. Her research...

  2. nuSIMM: nanoHUB user Simulation Interface for Molecular Modeling

    26 May 2015 | Tools | Contributor(s): Michael Fortunato, Lauren Abbott, Kyle E Hart, coray colina

    Simulated polymerization, equilibration, and characterization of molecular models

  3. DrMohan L Verma

    I want to learn ner tools for material characterization. Specially theoretical tools related to computational nanoscience. Solid state battery and other electrochemical device based materials are...

  4. Learning Module: Atomic Picture of Plastic Deformation in Metals

    The main goal of this learning module is to introduce students to the atomic-level processes responsible for plastic deformation in crystalline metals and help them develop a more intuitive...

  5. Valence Shell Electron Pair Repulsion simulator

    06 Dec 2009 | Tools | Contributor(s): Baudilio Tejerina

    This tool calculates the optimal distribution of particles subject to a Coulombic potential on the surface of a sphere.

  6. QC-Lab

    14 Feb 2006 | Tools | Contributor(s): Baudilio Tejerina

    Quantum Chemsitry Lab: Ab Initio and DFT molecular and electronic structure calculations of small molecules, a resource for nanoscience and nanotechnology, is supported by the National Science Foundation and other funding agencies. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the National Science Foundation.