Resources (1001-1020 of 1074)

1. Illinois PHYS 466, Lecture 15: Constraints

   22 Apr 2009 | | Contributor(s):: David M. Ceperley, Omar N Sobh

2. Illinois PHYS 466, Lecture 14: Neighbor Tables, Long-Range Potentials, Ewald Sums

   22 Apr 2009 | | Contributor(s):: David M. Ceperley, Omar N Sobh

3. Illinois PHYS 466, Lecture 13: Brownian Dynamics

   08 Apr 2009 | | Contributor(s):: David M. Ceperley

   Brownian DynamicsLet’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 solvent degrees of freedom and have much longer time steps.Content: Local Markov process General Form of Evolution...

4. Illinois PHYS 466, Lecture 12: Random Walks

   30 Mar 2009 | | Contributor(s):: David M. Ceperley

   Random WalksToday 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 hard sphere liquid. It is one of the most powerful and used algorithmsContent: Equation of State Calculations by...

5. Illinois PHYS 466, Lecture 11: Importance Sampling

   20 Mar 2009 | | Contributor(s):: David M. Ceperley

   Importance samplingToday We will talk about the third option: Importance sampling and correlated samplingContent: Importance Sampling Finding Optimal p*(x) for Sampling Example of importance sampling What are allowed values of a? What does infinite variance look like? General Approach to...

6. Illinois PHYS 466, Lecture 10: Sampling

   20 Mar 2009 | | Contributor(s):: David M. Ceperley, Omar N Sobh

   Fundamentals of Monte CarloWhat 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. Stochastic - not deterministic! A method for doing highly dimensional integrals by sampling the...

7. Illinois nanohour Seminar: Rapid Label Free Detection of Rotavirus using Photonic Crystal Biosensors

   05 Mar 2009 | | Contributor(s):: Leo L Chan

   Rapid Label-free Detection of Rotavirus using Photonic Crystal Biosensors Presentation Outline Rotavirus Current Detection Method Label-based versus label-free assay Photonic Crystal (PC) Biosensor Biosensor Fabrication Biosensor Operation Assay Protocol Titration Series Comparison with ELISA...

8. Illinois PHYS 466, Lecture 8: Temperature and Pressure Controls

   03 Mar 2009 | | Contributor(s):: David M. Ceperley

   Temperature and Pressure ControlsContent: Constant Temperature MD Quench method Brownian dynamics/Anderson thermostat Nose-Hoover thermostat (FS 6.1.2) Nose-Hoover thermodynamics Effect of thermostat Comparison of Thermostats Constant pressure or constant volume Constant Pressure (FS 6.2)...

9. Illinois PHYS 466, Lecture 6: Scalar Properties and Static Correlations

   03 Mar 2009 | | Contributor(s):: David M. Ceperley

   Scalar Properties, Static Correlations and Order ParametersWhat do we get out of a simulation? Static properties: pressure, specific heat, etc. Density Pair correlations in real space and Fourier space Order parameters and broken symmetry: How to tell a liquid from a solid Dynamical properties...

10. Illinois ECE 598EP Lecture 3.3 - Hot Chips: Electrons and Phonons

    02 Mar 2009 | | Contributor(s):: Eric Pop

    Electrons and PhononsTopics: Energy Stored in These Vibrations The Einstein Model Einstein Low-T and High-T Behavior The Debye Model Peter Debye (1884-1966) Website Reminder The Debye Integral Debye Low-T and High-T BehaviorThese notes were breezed and uploaded by Omar Sobh

11. Illinois PHYS 466, Lecture 7: Dynamical Correlations & Transport Coefficients

    02 Mar 2009 | | Contributor(s):: David M. Ceperley

    Dynamical correlations and transport coefficientsDynamics is why we do molecular dynamics! Perturbation theory Linear-response theory Diffusion constants, velocity-velocity auto correlation fct. Transport coefficients Diffusion: Particle flux Viscosity: Stress tensor Heat transport: energy...

12. Illinois PHYS 466, Lecture 5: Interatomic Potentials

    18 Feb 2009 | | 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 V(R)!Content: The electronic-structure problem Born-Oppenheimer (1927) Approximation Semi-empirical potentials Atom-Atom...

13. Illinois ECE 598EP Lecture 3.2 - Hot Chips: Electrons and Phonons

    18 Feb 2009 | | Contributor(s):: Eric Pop, Omar N Sobh

    Electrons and Phonons

14. Illinois ECE 598EP Lecture 3.1 - Hot Chips: Electrons and Phonons

    17 Feb 2009 | | Contributor(s):: Eric Pop, Omar N Sobh

    Electrons and Phonons

15. Illinois Center for Cellular Mechanics: Discovery through the Computational Microscope

    11 Feb 2009 | | Contributor(s):: Klaus Schulten

    Computational MicroscopeAll-atom molecular dynamics simulations have become increasingly popular as a toolto investigate protein function and dynamics. However, researchers are usuallyconcerned about the short time scales covered by simulations, the apparentimpossibility to model large and...

16. Illinois PHYS 466, Lecture 4: Molecular Dynamics

    05 Feb 2009 | | 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: Characteristics of simulations The Verlet Algorithm Higher Order Methods? Quote from Berendsen Long-term stability of Verlet...

17. Illinois ECE 598EP Hot Chips: Atoms to Heat Sinks

    out of 5 stars 

    27 Jan 2009 | | Contributor(s):: Eric Pop

    This course pursues a parallel treatment of electrical and thermal issues in modern nanoelectronics, from fundamentals to system-level issues. Topics include energy transfer through electrons and phonons, mobility and thermal conductivity, power dissipation in modern devices (CMOS, phase-change...

18. Illinois ECE 598EP Lecture 1 - Hot Chips: Atoms to Heat Sinks

    out of 5 stars 

    29 Jan 2009 | | Contributor(s):: Eric Pop

    IntroductionContent: The Big Picture Another CPU without a Heat Sink Thermal Management Methods Impact on People and Environment Packaging cost IBM S/390 refrigeration and processor packaging Intel Itanium and Pentium 4packaging Graphics Cards Under/Overclocking Environment A More Detailed Look...

19. Illinois PHYS 466, Lecture 3: Basics of Statistical Mechanics

    out of 5 stars 

    31 Jan 2009 | | Contributor(s):: David M. Ceperley

    Basics of Statistical Mechanics Review of ensembles Microcanonical, canonical, Maxwell-Boltzmann Constant pressure, temperature, volume,… Thermodynamic limit Ergodicity (see online notes also) Reading assignment: Frenkel and Smit pgs. 1-22.Content: The Fundamentals according to Newton “Molecular...

20. Illinois MatSE 280 Introduction to Engineering Materials, Lecture 9: Mechanical Failures

    out of 5 stars 

    09 Jan 2009 | | Contributor(s):: Duane Douglas Johnson, Omar N Sobh

    Mechanical Failure: temperature, stress, cyclic and loading effectISSUES TO ADDRESS... How do cracks that lead to failure form? How is fracture resistance quantified? How do the fracture resistances of the different material classes compare? How do we estimate the stress to fracture? How do...