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Deciphering Energy Transfer in Photosynthesis with Multiscale Molecular Modeling
07 Dec 2023 | | Contributor(s):: Lyudmila V. Slipchenko
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Exploring the Nano World: Building Nanoscale Structures with Polymer Modeler
14 Jul 2023 | | Contributor(s):: Tongtong Shen
In this talk, I will showcase how atomic-level simulations can lead to a more fundamental understanding of PAN crystal structures and guide you through an interactive Polymer Modeler powered by nanoHUB.
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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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Ian Harreschou
https://nanohub.org/members/393937
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Jeevan Patra
https://nanohub.org/members/392378
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Edgar Mixcoha
I want to be a scientific leader in the development of rational new drugs, vaccine design, and description of biological systems using computational chemistry approaches such as Molecular Dynamics...
https://nanohub.org/members/389676
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Teaching and Learning with the MIT Atomic Scale Modeling Toolkit's Classical and Quantum Atomic Modeling Applications
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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Nongnuch Artrith
Dr. rer. nat. Nongnuch Artrith (http://nartrith.atomistic.net) is a Tenure-Track Assistant Professor in the Materials Chemistry and Catalysis group at the Debye Institute for Nanomaterials Science,...
https://nanohub.org/members/384244
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Sivasubramanian Chandramouli
Fall 2022 PhD student in Materials engineering at Purdue University
https://nanohub.org/members/382565
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LAMMPS Data File Generator Tool Demo
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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Visualization Dashboard for MPCAs
09 Mar 2022 | | Contributor(s):: Juan Carlos Verduzco Gastelum, Zachary D McClure, Alejandro Strachan
Sim2L Visualization Dashboard for Multi-Principal Component Allloys
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amir mohammad zarghani
i am amir mohammad zarghani
https://nanohub.org/members/358390
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Ali lashani zand
https://nanohub.org/members/352618
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Ayman Almos Kanaan
https://nanohub.org/members/351159
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Designing Machine Learning Surrogates for Molecular Dynamics Simulations
25 Nov 2021 | | Contributor(s):: JCS Kadupitiya
Molecular dynamics (MD) simulations accelerated by high-performance computing (HPC) methods are powerful tools for investigating and extracting the microscopic mechanisms characterizing the properties of soft materials such as self-assembled nanoparticles, virus capsids, confined electrolytes,...
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Active Learning Workflow for MPCAs
05 Oct 2021 | | Contributor(s):: Juan Carlos Verduzco Gastelum, David Enrique Farache, Zachary D McClure, Saaketh Desai, Alejandro Strachan
Active learning workflow for MPCAs using MD simulation tool MeltHEAS for optimized melting temperatures
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Bishwajite Karmakar
https://nanohub.org/members/336196
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adnan zahid
I was born and raised in the heart of Islamabad and grew up a very outgoing and active child. Always staying proactive, I ventured into a lot of different activities to show my talent. I have...
https://nanohub.org/members/335069
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The DFT calculation for Amorphous Silica is not able to process showing an error I am not able to understand.
Q&A|Closed | Responses: 1
Whenever I am trying to perform DFT calculation of any molecule there comes the type of error which is not understandable. The recent one being for amorphous Silica stating " from pp_check_file :...
https://nanohub.org/answers/question/2483
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MIT Atomic-Scale Modeling Toolkit
15 Jan 2008 | | Contributor(s):: David Strubbe, Enrique Guerrero, daniel richards, Elif Ertekin, Jeffrey C Grossman, Justin Riley
Tools for Atomic-Scale Modeling