Description

All Categories (1-18 of 18)

1. Nanoparticle Shape Lab

   Tools | 10 Jan 2020 | Contributor(s):: JCS Kadupitiya, Nicholas E. Brunk, Vikram Jadhao

   Simulates the low-energy shapes of nanocontainers over a wide range of solution conditions

2. Graphene Nanopore Drilling

   Tools | 27 Sep 2018 | Contributor(s):: Jae Hyun Park, Darren K Adams, Narayan Aluru

   Drilling a nanopore in graphene by Si-nanoparticle bombardment

3. LegoGen

   Tools | 05 Feb 2016 | Contributor(s):: Scott Michael Louis Slone, Chris Maffeo, AbderRahman N Sobh, Aleksei Aksimentiev

   Tool workflow for building DNA Brick structures automatically.

4. Molecular Dynamics Showcase Builder

   Tools | 09 Nov 2015 | Contributor(s):: Michael McLennan, Nicholas K Kisseberth, George A. Howlett, Jim Slopsema, Aleksei Aksimentiev, Chen-Yu Li

   Tool to create showcases for the Molecular Dynamics Showcase viewer.

5. MSE 498 Lesson 12: MD

   Online Presentations | 16 Mar 2015 | Contributor(s):: Andrew Ferguson

   This new course will give students hands-on experience with popular computational materials science and engineering software through a series of projects in: electronic structure calculation (e.g., VASP), molecular simulation (e.g., GROMACS), phase diagram modeling (e.g., Thermo-Calc), finite...

6. Request for more instructions and explanation

   Q&A|Open | Responses: 1

   This pre-made demonstration and learning simulation is a great idea.

   It would be really helpful to augment the instructions with some explanations of what to do _after_ hitting...

   https://nanohub.org/answers/question/1362

7. Computational Nanodynamics Lab

   Tools | 07 May 2013 | Contributor(s):: Sinan Keten, Matt Sullivan

   A set of tools developed for the course "Computational Nanodynamics" at Northwestern University. Simulation examples include self assembly and mixing, vibrations of nanotubes, and particle motion in a double-well potential.

8. cadnano to PDB File Converter

   Tools | 13 Nov 2013 | Contributor(s):: Jejoong Yoo, AbderRahman N Sobh, Chen-Yu Li, Aleksei Aksimentiev

   Accepts CadNano files in the form of *.json and outputs a file in *.pdb which can be read by programs such as VMD.

9. Functionalization Workbench

   Tools | 30 Aug 2013 | Contributor(s):: AbderRahman N Sobh, Chen-Yu Li, Nahil Sobh, Aleksei Aksimentiev

   Using molecular dynamic simulation - explore the interactions between a molecular structure and substrate when they are linked together.

10. [Illinois] Interdisciplinary Symposium on Advanced Nano/Biosystems (Design, Fabrication, and Characterization)

    Workshops | 27 Sep 2013

    Symposium Dates and LocationWednesday, September 25-Friday, September 27, 2013Frederick Seitz Materials Research Laboratory, University of Illinois at Urbana-ChampaignUrbana, Illinois, USA  Program  Symposium Focus:Nano/bio systems have...

11. Molecular Dynamics Showcase

    Tools | 06 Jul 2013 | Contributor(s):: Michael McLennan, Chen-Yu Li, john stone, Aleksei Aksimentiev, George A. Howlett

    View interesting features of a molecular dynamics trajectory file

12. [Illinois] Physics 550 Biomolecular Physics

    Courses | 03 Sep 2013 | Contributor(s):: Klaus Schulten, Taekjip Ha

      Physical concepts governing the structure and function of biological macromolecules; general properties, spatial structure, energy levels, dynamics and functions, and relation to other complex physical systems such as glasses; recent research in biomolecular physics;...

13. [Illinois] Molecular and Multiscale Simulation Summer School

    Series | 08 May 2013 | Contributor(s):: NanoBio Node

    This Summer School will train students in molecular simulation and simulation at multiple time and length scales. Instruction will be provided on quantum Monte Carlo simulation, molecular dynamics, coarse-grained simulations, and multiscale simulations with opportunities for hands-on experience...

14. ReaxFF

    Tools | 20 Jun 2011 | Contributor(s):: Michael Russo, Adri van Duin

    ReaxFF code for simulating atomic systems

15. Illinois Phys550 Molecular Biophysics

    Courses | 25 Jan 2010 | Contributor(s):: Klaus Schulten

    Physical concepts governing the structure and function of biological macromolecules; general properties, spatial structure, energy levels, dynamics and functions, and relation to other complex physical systems such as glasses; recent research in biomolecular physics; physical techniques and...

16. Hyper-REBO

    Tools | 26 Apr 2007 | Contributor(s):: Xufeng Wang, Susan Sinnott, jing xu, SeongJun Heo, Wen-Dung Hsu

    Second-generation reactive empirical bond order(REBO)potential energy expression for hydrocarbons

17. REBO

    Tools | 24 Jul 2006 | Contributor(s):: Wen-Dung Hsu, SeongJun Heo, jing xu, Susan Sinnott

    Reactive Empirical Bond-Order (REBO) potential is a many-body expression optimized for modeling covalently bonded materials, such as carbon and silicon, in large-scale atomistic simulations

18. Micelle

    Tools | 24 Jul 2006 | Contributor(s):: Kunal Shah, Patrick Chiu, jing xu, Susan Sinnott

    Parallel Molecular Dynamics (MD) code that models surfactant structures in water and at liquid/solid interfaces.