Density functional theory software
DMol3 is a commercial (and academic) software package which uses density functional theory with a numerical radial function basis set to calculate the electronic properties of molecules, clusters, surfaces and crystalline solid materialsfrom first principles. DMol3 can either use gas phase boundary conditions or 3D periodic boundary conditions for solids or simulations of lower-dimensional periodicity. It has also pioneered the use of the conductor-like screening model COSMO Solvation Model for quantum simulations of solvated molecules and recently of wetted surfaces. DMol3 permits geometry optimisation and saddle point search with and without geometry constraints, as well as calculation of a variety of derived properties of the electronic configuration. DMol3 development started in the early eighties with B. Delley then associated with A.J. Freeman and D.E. Ellis at Northwestern University. In 1989 DMol3 appeared as DMol, the first commercial density functional package for industrial use by Biosym Technologies now Accelrys. Delley's 1990 publication was cited more than 3000 times. (Wikipedia).
The Two-Dimensional Discrete Fourier Transform
The two-dimensional discrete Fourier transform (DFT) is the natural extension of the one-dimensional DFT and describes two-dimensional signals like images as a weighted sum of two dimensional sinusoids. Two-dimensional sinusoids have a horizontal frequency component and a vertical frequen
From playlist Fourier
Data Visualization with D3, by Athena Braun
Data comes in many forms, but rarely is large spreadsheet the easiest way to glean information from it. Data visualization is a growing field in which researchers look for the best ways to show off their findings in digestible and even fun presentations. D3 is a powerful JavaScript library
From playlist CS50 Seminars 2018
If you’ve ever gotten frustrated trying to figure out why your code doesn’t work, or how someone else’s code works, you are not alone. This is for you. EVENT: Open Vis 2017 Conf SPEAKER: Mike Bostock PERMISSIONS: The original content of this video was published under the Creative Common
From playlist D3 JS
D2I - Demo for IFRI TableViewer
Demo for IFRI TableViewer
From playlist Data to Insight Center (D2I)
The Discrete Fourier Transform (DFT)
This video introduces the Discrete Fourier Transform (DFT), which is how to numerically compute the Fourier Transform on a computer. The DFT, along with its fast FFT implementation, is one of the most important algorithms of all time. Book Website: http://databookuw.com Book PDF: http
From playlist Fourier
The Fast Fourier Transform (FFT)
Here I introduce the Fast Fourier Transform (FFT), which is how we compute the Fourier Transform on a computer. The FFT is one of the most important algorithms of all time. Book Website: http://databookuw.com Book PDF: http://databookuw.com/databook.pdf These lectures follow Chapter
From playlist Fourier
The Discrete Fourier Transform
This video provides a basic introduction to the very widely used and important discrete Fourier transform (DFT). The DFT describes discrete-time signals as a weighted sum of complex sinusoid building blocks and is used in applications such as GPS, MP3, JPEG, and WiFi.
From playlist Fourier
LPIC-2 202 Alternate DNS Servers
More videos like this online at http://www.theurbanpenguin.com In this video we look mainly at dnsmasq but introduce alternate DNS servers in general
From playlist LPIC-2