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Sep 02 2015
18th International Workshop on Computational Electronics
The International Workshop on Computational Electronics covers all aspects of advanced simulation of electronic transport and optoelectronic processes in semiconductors and semiconductor devices...
https://nanohub.org/events/details/1170
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Research projects for summer
Q&A|Closed | Responses: 0
I am a sophomore in computer engineering and I wanted to know if there are any good research projects this summer in my field. If there are, could you please write the project and the professor...
https://nanohub.org/answers/question/460
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A Condensed Matter Physics class and a Course-Based Undergraduate Research Experience (CURE) with the MIT Atomic-Scale Modeling Toolkit
07 Nov 2022 | | Contributor(s):: David Strubbe
In this presentation, Dr. Strubbe will discuss how he has been using the MIT Atomic-Scale Modeling Toolkit as a part of his undergraduate and graduate class on condensed matter physics. In discussion sections, simulations are performed to illustrate concepts like covalent bonding,...
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A Guide to the MIT Atomic Scale Modeling Toolkit for nanoHUB.org
22 Nov 2022 | | Contributor(s):: Enrique Guerrero
This document is a guide to the Quantum ESPRESSO application within the >MIT Atomic Scale Modeling Toolkit The guide was designed to be presented as part II of the nanoHUB seminar “A condensed matter physics class and a Course-based Undergraduate Research Experience (CURE) with the MIT...
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ab initio simulations with ORCA
28 Jul 2015 | | Contributor(s):: nicolas onofrio, Alejandro Strachan
ab initio and density functional theory calculations dedicated to molecular systems
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ABINIT: First-Time User Guide
09 Jun 2009 | | Contributor(s):: Benjamin P Haley
This first-time user guide provides an introduction to using ABINIT on nanoHUB. We include a very brief summary of Density Functional Theory along with a tour of the Rappture interface. We discuss the default simulation (what happens if you don't change any inputs, and just hit...
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Adolfo Catral Sanabria
My education is in computer science, mathematics and linguistics principally, but I am a Cross Field Researcher; I use mathematics and my other knowledge to study many fields.
https://nanohub.org/members/231624
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Are Simulation Tools Developed and Used by Experts Appropriate Experimentation Tools for Educational Contexts?
08 Apr 2010 | | Contributor(s):: Alejandra J. Magana, Sean Brophy,
Simulations and visualizations can lead to significant improvements in students'conceptual understanding. This increased understanding may be due to the formation of expert-like dynamic mental models. Laboratory simulations have been used in educational contexts forinquiry learning by allowing...
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Chanaka Suranjith Rupasinghe
Chanaka Rupasinghe is a researcher of computational nanotechnology at Lanka Software Foundation and he works together with Sri Lanka Institute of Nanotechnology on open-source simulation and...
https://nanohub.org/members/36739
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Citrine Tools for Materials Informatics
02 Dec 2019 | | Contributor(s):: Juan Carlos Verduzco Gastelum, Alejandro Strachan
Jupyter notebooks for sequential learning in the context of materials design. Run your own models, explore various methods and adapt the notebooks to your needs.
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CompuCell3D - Capillary without Gravity
22 Jun 2022 | | Contributor(s):: Pedro Cenci Dal Castel
2D Cellular Potts Model simulation on capillary to demonstrate contact energy effects
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Computational Nanoscience, Homework Assignment 1: Averages and Statistical Uncertainty
30 Jan 2008 | | Contributor(s):: Jeffrey C Grossman, Elif Ertekin
The purpose of this assignment is to explore statistical errors and data correlation.This assignment is to be completed following lectures 1 and 2 using the "Average" program in the Berkeley Computational Nanoscience Toolkit.University of California, Berkeley
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Computational Nanoscience, Homework Assignment 2: Molecular Dynamics Simulation of a Lennard-Jones Liquid
14 Feb 2008 | | Contributor(s):: Elif Ertekin, Jeffrey C Grossman
The purpose of this assignment is to perform a full molecular dynamics simulation based on the Verlet algorithm to calculate various properties of a simple liquid, modeled as an ensemble of identical classical particles interacting via the Lennard-Jones potential.This assignment is to be...
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Computational Nanoscience, Homework Assignment 3: Molecular Dynamics Simulation of Carbon Nanotubes
14 Feb 2008 | | Contributor(s):: Elif Ertekin, Jeffrey C Grossman
The purpose of this assignment is to perform molecular dynamics simulations to calculate various properties of carbon nanotubes using LAMMPS and Tersoff potentials.This assignment is to be completed following lectures 5 and 6 using the "LAMMPS" program in the Berkeley Computational Nanoscience...
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Computational Nanoscience, Homework Assignment 4: Hard-Sphere Monte Carlo and Ising Model
05 Mar 2008 | | Contributor(s):: Elif Ertekin, Jeffrey C Grossman
In this assignment, you will explore the use of Monte Carlo techniques to look at (1) hard-sphere systems and (2) Ising model of the ferromagnetic-paramagnetic phase transition in two-dimensions. This assignment is to be completed following lecture 12 and using the "Hard Sphere Monte Carlo" and...
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Computational Nanoscience, Lecture 10: Brief Review, Kinetic Monte Carlo, and Random Numbers
25 Feb 2008 | | Contributor(s):: Elif Ertekin, Jeffrey C Grossman
We conclude our discussion of Monte Carlo methods with a brief review of the concepts covered in the three previous lectures. Then, the Kinetic Monte Carlo method is introduced, including discussions of Transition State Theory and basic KMC algorithms. A simulation of vacancy-mediated diffusion...
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Computational Nanoscience, Lecture 11: Phase Transitions and the Ising Model
27 Feb 2008 | | Contributor(s):: Elif Ertekin, Jeffrey C Grossman
In this lecture, we present an introduction to simulations of phase transitions in materials. The use of Monte Carlo methods to model phase transitions is described, and the Ising Model is given as an example for modeling the ferromagnetic-paramagnetic transition. Some of the subtleties of...
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Computational Nanoscience, Lecture 12: In-Class Simulation of Ising Model
28 Feb 2008 | | Contributor(s):: Elif Ertekin, Jeffrey C Grossman
This is a two part lecture in which we discuss the spin-spin correlation function for the the Ising model, correlation lengths, and critical slowing down. An in-class simulation of the 2D Ising Model is performed using the tool "Berkeley Computational Nanoscience Class Tools". We look at domain...
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Computational Nanoscience, Lecture 13: Introduction to Computational Quantum Mechanics
30 Apr 2008 | | Contributor(s):: Jeffrey C Grossman, Elif Ertekin
In this lecture we introduce the basic concepts that will be needed as we explore simulation approaches that describe the electronic structure of a system.
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Computational Nanoscience, Lecture 14: Hartree-Fock Calculations
30 Apr 2008 | | Contributor(s):: Jeffrey C Grossman, Elif Ertekin
A description of the Hartree-Fock method and practical overview of its application. This lecture is to be used in conjunction with the course toolkit, with the Hartree-Fock simulation module.