
MSE 498 Lesson 2: bash
17 Mar 2015  Online Presentations  Contributor(s): Andrew Ferguson
This new course will give students handson experience with popular computational materials science and engineering software through a series of projects in: electronic structure calculation...
http://nanohub.org/resources/22051

MSE 498 Lesson 3: bash
17 Mar 2015  Online Presentations  Contributor(s): Andrew Ferguson
This new course will give students handson experience with popular computational materials science and engineering software through a series of projects in: electronic structure calculation...
http://nanohub.org/resources/22053

[Illinois] CNST 2012: Nanostructured Silicon Optical Materials as Multifunctional Cell Culture Substrates
02 Jun 2013  Online Presentations  Contributor(s): Kris Killian
…
http://nanohub.org/resources/14041

Multiscale Manufacturing of Fractal Structures
28 Mar 2013  Online Presentations  Contributor(s): Charalabos (Haris) Doumanidis
This lecture overviews the philosophy and background of the presenter’s research group in thermomechanical materials processing and manufacturing process modeling and control by scanned...
http://nanohub.org/resources/17143

Exascale Codesign for Materials in Extreme Environments: Heterogeneous Algorithms for Heterogeneous Architectures
30 May 2012  Online Presentations  Contributor(s): Timothy C. Germann
Computational materials scientists have been among the earliest and heaviest users of leadershipclass supercomputers. The codes and algorithms which have been developed span a wide range of...
http://nanohub.org/resources/14132

Nanotribology, Nanomechanics and Materials Characterization Studies
08 Jun 2009  Online Presentations  Contributor(s): Bharat Bhushan
Fundamental nanotribological studies provide insight to molecular origins of interfacial phenomena including adhesion, friction, wear and lubrication.
Friction and wear of lightly loaded...
http://nanohub.org/resources/6573

Illinois PHYS 466, Lecture 13: Brownian Dynamics
08 Apr 2009  Online Presentations  Contributor(s): David M. Ceperley
Brownian Dynamics
Let’s explore the connection between Brownian motion and Metropolis Monte Carlo. Why?
Connection with smart MC
Introduce the idea of kinetic Monte Carlo
Get rid of...
http://nanohub.org/resources/6635

Illinois PHYS 466, Lecture 12: Random Walks
30 Mar 2009  Online Presentations  Contributor(s): David M. Ceperley
Random Walks
Today we will discuss Markov chains (random walks), detailed balance and transition rules.
These methods were introduced by Metropolis et al. in 1953
who applied it to a...
http://nanohub.org/resources/6544

Illinois PHYS 466, Lecture 11: Importance Sampling
20 Mar 2009  Online Presentations  Contributor(s): David M. Ceperley
Importance sampling
Today We will talk about the third option: Importance sampling and correlated sampling
Content:
Importance Sampling
Finding Optimal p*(x) for Sampling
Example of...
http://nanohub.org/resources/6488

Illinois PHYS 466, Lecture 10: Sampling
20 Mar 2009  Online Presentations  Contributor(s): David M. Ceperley, Omar N Sobh
Fundamentals of Monte Carlo
What is Monte Carlo?
Named at Los Alamos in 1940’s after the casino.
Any method which uses (pseudo)random numbers> as an essential part of the algorithm.
...
http://nanohub.org/resources/6507

Illinois PHYS 466, Lecture 8: Temperature and Pressure Controls
03 Mar 2009  Online Presentations  Contributor(s): David M. Ceperley
Temperature and Pressure Controls
Content:
Constant Temperature MD
Quench method
Brownian dynamics/Anderson thermostat
NoseHoover thermostat (FS 6.1.2)
NoseHoover thermodynamics
...
http://nanohub.org/resources/6420

Illinois PHYS 466, Lecture 6: Scalar Properties and Static Correlations
03 Mar 2009  Online Presentations  Contributor(s): David M. Ceperley
Scalar Properties, Static Correlations and Order Parameters
What do we get out of a simulation?
Static properties: pressure, specific heat, etc.
Density
Pair correlations in real space...
http://nanohub.org/resources/6411

Illinois PHYS 466, Lecture 7: Dynamical Correlations & Transport Coefficients
02 Mar 2009  Online Presentations  Contributor(s): David M. Ceperley
Dynamical correlations and transport coefficients
Dynamics is why we do molecular dynamics!
Perturbation theory
Linearresponse theory
Diffusion constants, velocityvelocity auto...
http://nanohub.org/resources/6409

Illinois PHYS 466, Lecture 5: Interatomic Potentials
18 Feb 2009  Online Presentations  Contributor(s): David M. Ceperley
Interatomic Potentials
Before we can start a simulation, we need the model!
Interaction between atoms and molecules is determined by quantum mechanics
But we don’t know...
http://nanohub.org/resources/6294

Illinois ECE 598EP Lecture 3.1  Hot Chips: Electrons and Phonons
17 Feb 2009  Online Presentations  Contributor(s): Eric Pop, Omar N Sobh
Electrons and Phonons
http://nanohub.org/resources/6270

Illinois Center for Cellular Mechanics: Discovery through the Computational Microscope
11 Feb 2009  Online Presentations  Contributor(s): Klaus Schulten
Computational Microscope
Allatom molecular dynamics simulations have become increasingly popular as a tool
to investigate protein function and dynamics. However, researchers are...
http://nanohub.org/resources/6253

Illinois PHYS 466, Lecture 4: Molecular Dynamics
05 Feb 2009  Online Presentations  Contributor(s): David M. Ceperley
Molecular Dynamics
What to choose in an integrator
The Verlet algorithm
Boundary Conditions in Space and time
Reading assignment: Frenkel and Smit Chapter 4
Content:
...
http://nanohub.org/resources/6239

Illinois ECE 598EP Lecture 1  Hot Chips: Atoms to Heat Sinks
29 Jan 2009  Online Presentations  Contributor(s): Eric Pop
Introduction
Content:
The Big Picture
Another CPU without a Heat Sink
Thermal Management Methods
Impact on People and Environment
Packaging cost
IBM S/390 refrigeration and...
http://nanohub.org/resources/6184

Illinois PHYS 466, Lecture 3: Basics of Statistical Mechanics
31 Jan 2009  Online Presentations  Contributor(s): David M. Ceperley
Basics of Statistical Mechanics
Review of ensembles
Microcanonical, canonical, MaxwellBoltzmann
Constant pressure, temperature, volume,…
Thermodynamic limit
Ergodicity ...
http://nanohub.org/resources/6198

Illinois MatSE 280 Introduction to Engineering Materials, Lecture 9: Mechanical Failures
09 Jan 2009  Online Presentations  Contributor(s): Duane Douglas Johnson, Omar N Sobh
Mechanical Failure: temperature, stress, cyclic and loading effect
ISSUES TO ADDRESS...
How do cracks that lead to failure form?
How is fracture resistance quantified? How do the...
http://nanohub.org/resources/6108