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UCSD NANO 266 Quantum Mechanical Modelling of Materials and Nanostructures is a graduate class that provides students with a highly practical introduction to the application of first principles quantum mechanical simulations to model, understand and predict the properties of materials and nano-structures. The syllabus includes: a brief introduction to quantum mechanics and the Hartree-Fock and density functional theory (DFT) formulations; practical simulation considerations such as convergence, selection of the appropriate functional and parameters; interpretation of the results from simulations, including the limits of accuracy of each method. Several lab sessions provide students with hands-on experience in the conduct of simulations. A key aspect of the course is in the use of programming to facilitate calculations and analysis.
Binping xiao superconducting surface impedance under radiofrequency fieldthinfilmsworkshop
Based on BCS theory with moving Cooper pairs, the electron states distribution at 0 K and the probability of electron occupation with finite temperature have been derived and applied to anomalous skin effect theory to obtain the surface impedance of a superconductor under radiofrequency (RF) field. We present the numerical results for Nb and compare these with representative RF field-dependent effective surface resistance measurements from a 1.5 GHz resonant structure.
Dynamics of Twointeracting Electronsinthree-Dimensional LatticeIOSR Journals
The physical property of strongly correlated electrons on a three-dimensional (3D) 3 x 3 x 3 cluster of the simple cubic lattice is here presented.In the work we developed the unit step Hamiltonian as a solution to the single band Hubbard Hamiltonian for the case of two electrons interaction in a finite three dimensional lattice. The approximation to the Hubbard Hamiltonian study is actually necessary because of the strong limitation and difficulty pose by the Hubbard Hamiltonian as we move away from finite - size lattices to larger N - dimensional lattices. Thus this work has provided a means of overcoming the finite - size lattice defects as we pass on to a higher dimension. We have shown in this study, that the repulsive Coulomb interaction which in part leads to the strong electronic correlations, would indicate that the two electron system prefer not to condense into s-wave superconducting singlet state (s = 0), at high positive values of the interaction strength. This study reveals that when the Coulomb interaction is zero, that is, for free electron system (non-interacting), thevariational parameters which describe the probability distribution of lattice electron system is the same. The spectra intensity for on-site electrons is zero for all values of the interaction strength
Hd video download kar raha tha so jao or phon to utha lete h to delay ho gya thoda sa station se school me kon h ye to bta de yrr bhej na dev bhai ko bhi nhi pad rha h to kya koi pareshani hai to bata deta hu na kabhi to delay ho gya thoda
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UCSD NANO 266 Quantum Mechanical Modelling of Materials and Nanostructures is a graduate class that provides students with a highly practical introduction to the application of first principles quantum mechanical simulations to model, understand and predict the properties of materials and nano-structures. The syllabus includes: a brief introduction to quantum mechanics and the Hartree-Fock and density functional theory (DFT) formulations; practical simulation considerations such as convergence, selection of the appropriate functional and parameters; interpretation of the results from simulations, including the limits of accuracy of each method. Several lab sessions provide students with hands-on experience in the conduct of simulations. A key aspect of the course is in the use of programming to facilitate calculations and analysis.
Binping xiao superconducting surface impedance under radiofrequency fieldthinfilmsworkshop
Based on BCS theory with moving Cooper pairs, the electron states distribution at 0 K and the probability of electron occupation with finite temperature have been derived and applied to anomalous skin effect theory to obtain the surface impedance of a superconductor under radiofrequency (RF) field. We present the numerical results for Nb and compare these with representative RF field-dependent effective surface resistance measurements from a 1.5 GHz resonant structure.
Dynamics of Twointeracting Electronsinthree-Dimensional LatticeIOSR Journals
The physical property of strongly correlated electrons on a three-dimensional (3D) 3 x 3 x 3 cluster of the simple cubic lattice is here presented.In the work we developed the unit step Hamiltonian as a solution to the single band Hubbard Hamiltonian for the case of two electrons interaction in a finite three dimensional lattice. The approximation to the Hubbard Hamiltonian study is actually necessary because of the strong limitation and difficulty pose by the Hubbard Hamiltonian as we move away from finite - size lattices to larger N - dimensional lattices. Thus this work has provided a means of overcoming the finite - size lattice defects as we pass on to a higher dimension. We have shown in this study, that the repulsive Coulomb interaction which in part leads to the strong electronic correlations, would indicate that the two electron system prefer not to condense into s-wave superconducting singlet state (s = 0), at high positive values of the interaction strength. This study reveals that when the Coulomb interaction is zero, that is, for free electron system (non-interacting), thevariational parameters which describe the probability distribution of lattice electron system is the same. The spectra intensity for on-site electrons is zero for all values of the interaction strength
Hd video download kar raha tha so jao or phon to utha lete h to delay ho gya thoda sa station se school me kon h ye to bta de yrr bhej na dev bhai ko bhi nhi pad rha h to kya koi pareshani hai to bata deta hu na kabhi to delay ho gya thoda
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Welcome to TechSoup New Member Orientation and Q&A (May 2024).pdfTechSoup
In this webinar you will learn how your organization can access TechSoup's wide variety of product discount and donation programs. From hardware to software, we'll give you a tour of the tools available to help your nonprofit with productivity, collaboration, financial management, donor tracking, security, and more.
Synthetic Fiber Construction in lab .pptxPavel ( NSTU)
Synthetic fiber production is a fascinating and complex field that blends chemistry, engineering, and environmental science. By understanding these aspects, students can gain a comprehensive view of synthetic fiber production, its impact on society and the environment, and the potential for future innovations. Synthetic fibers play a crucial role in modern society, impacting various aspects of daily life, industry, and the environment. ynthetic fibers are integral to modern life, offering a range of benefits from cost-effectiveness and versatility to innovative applications and performance characteristics. While they pose environmental challenges, ongoing research and development aim to create more sustainable and eco-friendly alternatives. Understanding the importance of synthetic fibers helps in appreciating their role in the economy, industry, and daily life, while also emphasizing the need for sustainable practices and innovation.
June 3, 2024 Anti-Semitism Letter Sent to MIT President Kornbluth and MIT Cor...Levi Shapiro
Letter from the Congress of the United States regarding Anti-Semitism sent June 3rd to MIT President Sally Kornbluth, MIT Corp Chair, Mark Gorenberg
Dear Dr. Kornbluth and Mr. Gorenberg,
The US House of Representatives is deeply concerned by ongoing and pervasive acts of antisemitic
harassment and intimidation at the Massachusetts Institute of Technology (MIT). Failing to act decisively to ensure a safe learning environment for all students would be a grave dereliction of your responsibilities as President of MIT and Chair of the MIT Corporation.
This Congress will not stand idly by and allow an environment hostile to Jewish students to persist. The House believes that your institution is in violation of Title VI of the Civil Rights Act, and the inability or
unwillingness to rectify this violation through action requires accountability.
Postsecondary education is a unique opportunity for students to learn and have their ideas and beliefs challenged. However, universities receiving hundreds of millions of federal funds annually have denied
students that opportunity and have been hijacked to become venues for the promotion of terrorism, antisemitic harassment and intimidation, unlawful encampments, and in some cases, assaults and riots.
The House of Representatives will not countenance the use of federal funds to indoctrinate students into hateful, antisemitic, anti-American supporters of terrorism. Investigations into campus antisemitism by the Committee on Education and the Workforce and the Committee on Ways and Means have been expanded into a Congress-wide probe across all relevant jurisdictions to address this national crisis. The undersigned Committees will conduct oversight into the use of federal funds at MIT and its learning environment under authorities granted to each Committee.
• The Committee on Education and the Workforce has been investigating your institution since December 7, 2023. The Committee has broad jurisdiction over postsecondary education, including its compliance with Title VI of the Civil Rights Act, campus safety concerns over disruptions to the learning environment, and the awarding of federal student aid under the Higher Education Act.
• The Committee on Oversight and Accountability is investigating the sources of funding and other support flowing to groups espousing pro-Hamas propaganda and engaged in antisemitic harassment and intimidation of students. The Committee on Oversight and Accountability is the principal oversight committee of the US House of Representatives and has broad authority to investigate “any matter” at “any time” under House Rule X.
• The Committee on Ways and Means has been investigating several universities since November 15, 2023, when the Committee held a hearing entitled From Ivory Towers to Dark Corners: Investigating the Nexus Between Antisemitism, Tax-Exempt Universities, and Terror Financing. The Committee followed the hearing with letters to those institutions on January 10, 202
Honest Reviews of Tim Han LMA Course Program.pptxtimhan337
Personal development courses are widely available today, with each one promising life-changing outcomes. Tim Han’s Life Mastery Achievers (LMA) Course has drawn a lot of interest. In addition to offering my frank assessment of Success Insider’s LMA Course, this piece examines the course’s effects via a variety of Tim Han LMA course reviews and Success Insider comments.
2024.06.01 Introducing a competency framework for languag learning materials ...Sandy Millin
http://sandymillin.wordpress.com/iateflwebinar2024
Published classroom materials form the basis of syllabuses, drive teacher professional development, and have a potentially huge influence on learners, teachers and education systems. All teachers also create their own materials, whether a few sentences on a blackboard, a highly-structured fully-realised online course, or anything in between. Despite this, the knowledge and skills needed to create effective language learning materials are rarely part of teacher training, and are mostly learnt by trial and error.
Knowledge and skills frameworks, generally called competency frameworks, for ELT teachers, trainers and managers have existed for a few years now. However, until I created one for my MA dissertation, there wasn’t one drawing together what we need to know and do to be able to effectively produce language learning materials.
This webinar will introduce you to my framework, highlighting the key competencies I identified from my research. It will also show how anybody involved in language teaching (any language, not just English!), teacher training, managing schools or developing language learning materials can benefit from using the framework.
Macroeconomics- Movie Location
This will be used as part of your Personal Professional Portfolio once graded.
Objective:
Prepare a presentation or a paper using research, basic comparative analysis, data organization and application of economic information. You will make an informed assessment of an economic climate outside of the United States to accomplish an entertainment industry objective.
Acetabularia Information For Class 9 .docxvaibhavrinwa19
Acetabularia acetabulum is a single-celled green alga that in its vegetative state is morphologically differentiated into a basal rhizoid and an axially elongated stalk, which bears whorls of branching hairs. The single diploid nucleus resides in the rhizoid.
The French Revolution, which began in 1789, was a period of radical social and political upheaval in France. It marked the decline of absolute monarchies, the rise of secular and democratic republics, and the eventual rise of Napoleon Bonaparte. This revolutionary period is crucial in understanding the transition from feudalism to modernity in Europe.
For more information, visit-www.vavaclasses.com
Embracing GenAI - A Strategic ImperativePeter Windle
Artificial Intelligence (AI) technologies such as Generative AI, Image Generators and Large Language Models have had a dramatic impact on teaching, learning and assessment over the past 18 months. The most immediate threat AI posed was to Academic Integrity with Higher Education Institutes (HEIs) focusing their efforts on combating the use of GenAI in assessment. Guidelines were developed for staff and students, policies put in place too. Innovative educators have forged paths in the use of Generative AI for teaching, learning and assessments leading to pockets of transformation springing up across HEIs, often with little or no top-down guidance, support or direction.
This Gasta posits a strategic approach to integrating AI into HEIs to prepare staff, students and the curriculum for an evolving world and workplace. We will highlight the advantages of working with these technologies beyond the realm of teaching, learning and assessment by considering prompt engineering skills, industry impact, curriculum changes, and the need for staff upskilling. In contrast, not engaging strategically with Generative AI poses risks, including falling behind peers, missed opportunities and failing to ensure our graduates remain employable. The rapid evolution of AI technologies necessitates a proactive and strategic approach if we are to remain relevant.
Unit 8 - Information and Communication Technology (Paper I).pdfThiyagu K
This slides describes the basic concepts of ICT, basics of Email, Emerging Technology and Digital Initiatives in Education. This presentations aligns with the UGC Paper I syllabus.
2. Useful Material
Books
A chemist’s guide to density-functional theory
Wolfram Koch and Max C. Holthausen (second edition,
Wiley)
The theory of the cohesive energies of solids
G. P. Srivastava and D. Weaire
Advances in Physics 36 (1987) 463-517
Gulliver among the atoms
Mike Gillan, New Scientist 138 (1993) 34
Web
www.nobel.se/chemistry/laureates/1998/
www.abinit.org
Version 4.2.3 compiled for windows, install and good
tutorial
3. Outline: Part 1,
The Framework of DFT
DFT: the theory
Schroedinger’s equation
Hohenberg-Kohn Theorem
Kohn-Sham Theorem
Simplifying Schroedinger’s
LDA, GGA
Elements of Solid State Physics
Reciprocal space
Band structure
Plane waves
And then ?
Forces (Hellmann-Feynman theorem)
E.O., M.D., M.C. …
6. Schroedinger’s Equation
i
i
i
i r
R
r
R
V
m
,
.
,
2
2
Hamiltonian operator
Kinetic Energy
Potential Energy
Coulombic interaction
External Fields
Very Complex many body Problem !!
(Because everything interacts)
Wave function
Energy levels
7. First approximations
Adiabatic (or Born-Openheimer)
Electrons are much lighter, and faster
Decoupling in the wave function
Nuclei are treated classically
They go in the external potential
i
i
i
i r
R
r
R
.
,
8. H.K. Theorem
The ground state is unequivocally
defined by the electronic density
r
r
r d
v
F
Ev
Universal functional
•Functional ?? Function of a function
•No more wave functions here
•But still too complex
9. K.S. Formulation
Use an auxiliary system
Non interacting electrons
Same Density
=> Back to wave functions, but simpler this time
(a lot more though)
r
r
V
m
i
i
i
eff
.
2
2
r
r
r
r
r
r
r
XC
eff d
V
V
i
i
2
r
r
N K.S. equations
(ONE particle in a box really)
(KS3)
(KS2)
(KS1)
Exchange correlation potential
10. Self consistent loop
Solve the independents K.S.
=>wave functions
From density, work out
Effective potential
New density ‘=‘
input density ??
Deduce new density from w.f.
Initial density
Finita la musica
YES
NO
11. DFT energy functional
XC
NI E
d
d
d
v
T
E
r
r
r
r
r
r
r
r
2
1
Exchange correlation funtional
Contains:
Exchange
Correlation
Interacting part of K.E.
Electrons are fermions
(antisymmetric wave function)
12. Exchange correlation functional
At this stage, the only thing we need is:
XC
E
Still a functional (way too many variables)
#1 approximation, Local Density Approximation:
Homogeneous electron gas
Functional becomes function !! (see KS3)
Very good parameterisation for
XC
E
Generalised Gradient Approximation:
,
XC
E
GGA
LDA
13. DFT: Summary
The ground state energy depends only on
the electronic density (H.K.)
One can formally replace the SE for the
system by a set of SE for non-interacting
electrons (K.S.)
Everything hard is dumped into Exc
Simplistic approximations of Exc work !
LDA or GGA
14. And now, for something completely different:
A little bit of Solid State Physics
Crystal structure Periodicity
15. Reciprocal space
Real Space
ai
ij
j
i b
a
.
2
Reciprocal Space
bi
Brillouin Zone
(Inverting effect)
k-vector (or k-point)
sin(k.r)
See X-Ray diffraction for instance
Also, Fourier transform and Bloch theorem
17. The k-point mesh
Brillouin Zone
(6x6) mesh
Corresponds to a supercell
36 time bigger than the
primitive cell
Question:
Which require a finer mesh,
Metals or Insulators ??
18. Plane waves
Project the wave functions on a basis set
Tricky integrals become linear algebra
Plane Wave for Solid State
Could be localised (ex: Gaussians)
+ + =
Sum of plane waves of increasing
frequency (or energy)
One has to stop: Ecut
20. Now what ?
We have access to the energy of a system,
without any empirical input
With little efforts, the forces can be computed,
Hellman-Feynman theorem
Then, the methodologies discussed for atomistic potential
can be used
Energy Optimisation
Monte Carlo
Molecular dynamics
r
r
r
F d
v i
i
i