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Large language model competition for LAMMPS
20 Mar 2024 | Contributor(s):: Ethan Holbrook, Saswat Mishra, Juan Carlos Verduzco Gastelum, William Zummo, Kat Nykiel, Alejandro Strachan
Large language model competition for LAMMPS
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Large Language model demonstration for LAMMPS
08 Jan 2024 | Contributor(s):: Ethan Holbrook, Juan Carlos Verduzco Gastelum, Saswat Mishra, Kat Nykiel, William Zummo, Alejandro Strachan
Large Language model demonstration for LAMMPS
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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
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Teaching and Learning with the MIT Atomic Scale Modeling Toolkit's Classical and Quantum Atomic Modeling Applications
Online Presentations | 23 Dec 2022 | Contributor(s):: Enrique Guerrero
We will perform molecular dynamics computations using LAMMPS, simple Monte Carlo simulations including the Ising model, and run quantum chemistry and density functional theory computations.
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How to make p3ht polymers
Q&A|Closed | Responses: 5
I want to make a polymer of p3ht but it doesn't work. when I try to make a polymer by uploading a p3ht monomer in z-matrix format, only Monomer-zmatrices,OutputLog,Download is displayed in...
https://nanohub.org/answers/question/2594
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LAMMPS Data File Generator Tool Demo
Online Presentations | 15 Apr 2022 | Contributor(s):: Carlos Miguel Patiño
A quick demonstration of the nanoHUB tool LAMMPS Data-File Generator. This was developed as part of the 2017 NCN URE program.
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TypeError: 'NoneType' object is not subscriptable
Q&A|Closed | Responses: 3
Hello, thank you for uploading this great tool.
I uploaded a pdb file of graphene generated by Material Studio and chose the Dreiding force field. ...
https://nanohub.org/answers/question/2511
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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
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MIT Atomic-Scale Modeling Toolkit
Tools | 15 Jan 2008 | Contributor(s):: David A Strubbe, Enrique Guerrero, daniel richards, Elif Ertekin, Jeffrey C Grossman, Justin Riley
Tools for Atomic-Scale Modeling
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Aminul Islam Olin
https://nanohub.org/members/303815
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MATE 370 Virtual Lab: Exploring Phase Transformations Through nanoHUB Nanomaterial Mechanics Explorer Tool
Teaching Materials | 24 Sep 2020 | Contributor(s):: Mohsen B Kivy, Crystal Ipong
This lab explores the kinetics of phase transformation using nanoHUB tools.
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Parsimonious neural networks
Tools | 06 Jul 2020 | Contributor(s):: Saaketh Desai, Alejandro Strachan
Design and train neural networks in conjunction with genetic algorithms to discover equations directly from data
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Refractory Complex Concentrated Alloy Melting Point Calculation
Tools | 25 May 2020 | Contributor(s):: Zachary D McClure, Saaketh Desai, Alejandro Strachan
Calculate melting point of BCC-type high entropy alloys through phase coexistence method
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Test Tool for Neural Network Reactive Force Field for CHNO systems
Tools | 30 Apr 2020 | Contributor(s):: Pilsun Yoo, Saaketh Desai, Michael N Sakano, Peilin Liao, Alejandro Strachan
Run molecular dynamics and Do testing using the neural network reactive force field for HE materials
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Gaurav Arora
https://nanohub.org/members/287812
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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
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JZ SPIN
https://nanohub.org/members/278310
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Nanoparticle Shape Lab
Tools | 23 Dec 2019 | Contributor(s):: JCS Kadupitiya, Nicholas E. Brunk, Vikram Jadhao
Simulates the low-energy shapes of nanocontainers over a wide range of solution conditions
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LAMMPS Input Structure Generator for Functionally Graded Materials (FGM)
Tools | 17 Nov 2019 | Contributor(s):: Md Shajedul Hoque Thakur, Mahmudul Islam, Abdullah Amin, Satyajit Mojumder, Md Mahbubul Islam
Generates initial geometries of Functionally Graded Materials (FGM) for LAMMPS simulations
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Is there a way to add voronoi/atom compute to lammps?
Q&A|Closed | Responses: 2
I am trying to monitor the average stress on each atom as a graphene sheet gets pulled apart. I planned on doing this by dividing the force on each atom by the volume of the atoms. However the...
https://nanohub.org/answers/question/2147