Description

All Categories (1-20 of 76)

1. Can I request for multiple nodes when running LAMMPS on Nanohub?

   Q&A|Closed | Responses: 0

   The LAMMPS tool on Nanohub has two features – atomic slip stick simulator and polymer modeler. Is there a way to perform simulations on LAMMPS other than the above on NANOHUB....

   https://nanohub.org/answers/question/1156

2. Error message: Can’t find file log.lammps

   Q&A|Closed | Responses: 1

   I am trying to run a simple test example that I have run before, but all I get is an error message: "Can't find file log.lammps" ... Can't understand the equivalent command...

   https://nanohub.org/answers/question/1506

3. What are the Dreiding paramters for graphene ?

   Q&A|Open | Responses: 1

   Hi,

   I am using lammps to simulate PMMA-graphene composite system. I used polymer modeller to create the PMMA chains. I want to add the graphene sheet but I am not sure what bond_coeff,...

   https://nanohub.org/answers/question/1596

4. when I runn with my own exe.lammps 3 minimize has done but at fix 1 all nvt temp 300.0 300.0 100.0 this error apear: ERROR: All pair coeffs are not set (../pair.cpp:175) I will be very thankfull.

   Q&A|Closed | Responses: 1

   https://nanohub.org/answers/question/1589

5. a question about ECHENDID package

   Q&A|Closed | Responses: 0

   Dear sir / madam

   I want to use ECHEMDID package, I tried ECM example in computers with different CPU numbers, but there is not any change in speed and it takes very long...

   https://nanohub.org/answers/question/1987

6. 

   Aminul Islam Olin

   https://nanohub.org/members/303815

7. Atomic Stick-Slip

   Tools | 09 Nov 2009 | Contributor(s):: Ashlie Martini, Jianguo Wu

   Molecular dynamics simulation of atomic stick-slip friction

8. Atomistic Polymer Workflow Notebook

   Tools | 19 Oct 2017 | Contributor(s):: Benjamin P Haley

   Run PolymerModeler and nuSIMM tools to create atomistic polymer systems

9. 

   Brenden William Hamilton

   PhD student in Materials Engineering at Purdue with a focus in shock response of materials and energetic materials. Current works include energy localization and transport, as well as...

   https://nanohub.org/members/121311

10. Change simulation box once in LAMMPS

    Q&A|Closed | Responses: 1

    Dear all,

    I have the following problem:

    I generate successfully in Polymer Modeler an initial configuration of PE (degree of polymerization 100, 26 chains) in a box of...

    https://nanohub.org/answers/question/1844

11. Coarse Graining of Crystalline Cellulose

    Tools | 29 Jul 2016 | Contributor(s):: Kuo Tian, Mehdi Shishehbor, Pablo Daniel Zavattieri

    Bio-inspired Crystalline Nano-Cellulose coarse graining toolkit

12. 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.

13. 

    Dan Karls

    https://nanohub.org/members/55419

14. Electrochemical Simulation

    Tools | 20 Jul 2017 | Contributor(s):: Joseph Anderson

    Simulate molecular dynamics using LAMMPS as well as an addition electrochemical force field (EChemDID)

15. Jun 09 2023

    Exploring the Nano World: Building Nanoscale Structures with Polymer Modeler

    Exploring the Nano World: Building Nanoscale Structures with Polymer ModelerPresenter:Dr. Tongtong (Tanya) Shen, AppleDate and Time:June 9, 2023; 2:00 - 3:00 PM EDTRegister hereAbstract:The...

    https://nanohub.org/events/details/2263

16. FunUQ for MD

    Tools | 24 Jun 2018 | Contributor(s):: Sam Reeve, Alejandro Strachan

    Functional uncertainty quantification for molecular dynamics

17. 

    Gaurav Arora

    https://nanohub.org/members/287812

18. Glass transition temperature notebook

    Tools | 22 May 2017 | Contributor(s):: Benjamin P Haley, Lorena Alzate-Vargas

    Calculate the glass transition temperature of an atomistic, amorphous system by running MD simulations in a notebook

19. High Entropy Alloy Melting Point Calculation

    Tools | 19 Feb 2020 | Contributor(s):: Zachary D McClure, Saaketh Desai, Alejandro Strachan

    Calculate melting point of high entropy alloys through phase coexistence method

20. How do I run the example Si in.elastic test example in the nanohub Lammps tool

    Q&A|Closed | Responses: 2

    The example for elastic stress that comes with lammps uses...:  in.elastic and init.mod and potential.mod and displacement.mod and Si.wc files. How do I run this 'simple'...

    https://nanohub.org/answers/question/2475