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Introduction to Computational Modeling - Input Parameters for SIESTA Simulation
Online Presentations | 16 Jun 2016 | Contributor(s):: Lan Li
This instructional video is part 2 in a two part series. It explains how to set up input parameters for the SIESTA simulation tool.
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Introduction to Computational Modeling - Schrödinger Equation, Density Functional Theory (DFT), Kohn-Sham Method, DFT Code SIESTA
Online Presentations | 16 Jun 2016 | Contributor(s):: Lan Li
This instructional video is part 1 in a two part series. It provides an introduction to computational modeling, including motivation for studying this topic. The Schrödinger Equation is reviewed and its relationship to Density Functional Theory (DFT) is explained. The...
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Atomistic Modeling of Nano Devices: From Qubits to Transistors
Online Presentations | 13 Apr 2016 | Contributor(s):: Rajib Rahman
In this talk, I will describe such a framework that can capture complex interactions ranging from exchange and spin-orbit-valley coupling in spin qubits to non-equilibrium charge transport in tunneling transistors. I will show how atomistic full configuration interaction calculations of exchange...
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Atomistic Modeling: Past, Present, and Future, MGI, ICME, etc.
Online Presentations | 03 Nov 2015 | Contributor(s):: Paul Saxe
I will present a perspective on atomistic modeling — tools using quantum methods such as DFT, as well as molecular dynamics and Monte Carlo methods based on forcefields — over the past 30 years or so. While we are all caught up in the present, it is important to remember and realize...
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Nanomaterial Mechanics Explorer
Tools | 30 Jun 2015 | Contributor(s):: Sam Reeve, Christopher Chow, Michael N Sakano, shuhui tang, Alexis Belessiotis, Mitchell Anthony Wood, Kiettipong Banlusan, Saaketh Desai, Alejandro Strachan
Simulate dislocation dynamics, crack propagation, nanowire tensile tests, and phase transitions
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Atomistic Simulations of Materials Chemistry: From Nanoelectronics to Energetics
Online Presentations | 06 Apr 2015 | Contributor(s):: Alejandro Strachan
Presentation slides with embedded videos are available for download. Please see the Support Docs tab.
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Taohid Bin Nur Tusher
https://nanohub.org/members/120056
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[Illinois] PHYS466 2013 Lecture 16: Importance Sampling
Online Presentations | 30 May 2013 | Contributor(s):: David M. Ceperley
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[Illinois] PHYS466 2013 Lecture 24: Density Functional Theory
Online Presentations | 30 May 2013 | Contributor(s):: David M. Ceperley
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May 28 2013
Atomic-scale Modeling of Nanoelectronic Devices With Atomistix ToolKit
The NNIN/C at the University of Michigan will be hosting a presentation on “Atomic-scale Modeling of Nanoelectronic Devices With Atomistix ToolKit”, which will be broadcast live as a web based...
https://nanohub.org/events/details/392
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Naheed Ferdous
Naheed Ferdous is a Postdoctoral Research Associate in the department of Mechanical Engineering at University of Illinois at Urbana Champaign, working with Professor Harley T. Johnson on 2D...
https://nanohub.org/members/82344
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[Illinois] PHYS466 2013: Atomic Scale Simulations
Courses | 03 Feb 2013 | Contributor(s):: David M. Ceperley
Application of Monte Carlo and Molecular Dynamics techniques in primarily classical simulations to understand and predict properties of microscopic systems in materials science, physics, biology, and chemistry. Numerical algorithms, connections between simulation results and real properties of...
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[Illinois] CSE Seminar Series: Advances in First-principles Computational Materials Science
Online Presentations | 20 Nov 2012 | Contributor(s):: Elif Ertekin
Title: Advances in first-principles computational materials science Subtitle: Things we can calculate now, that we couldn't when I was in grad school. The capability to rationally design new materials with tailored properties and functionality on a computer remains a grand challenge whose...
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Chi-Chin Wu
https://nanohub.org/members/68529
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Mesoscopic Simulations of Nitromethane
Online Presentations | 12 Sep 2011 | Contributor(s):: Jean-Bernard Maillet
We present recent developments on the dissipative particle model that allow simulating the physico-chemical behavior of a molecular material at the mesoscale level. Several ingredients have been added to the previous model, in particular concerning the intermolecular force field and the...
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Melih Eriten
https://nanohub.org/members/56583
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Chandra Veer Singh
https://nanohub.org/members/56131
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What are the proper transport models at the nanoscale?
Teaching Materials | 29 Jun 2011 | Contributor(s):: Dragica Vasileska, Gerhard Klimeck
This presentation is part of the series Nanoelectronics and Modeling at the Nanoscale
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Ali Nematollahi
https://nanohub.org/members/54654
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Stefan Bringuier
Researcher in materials science
https://nanohub.org/members/53015