Estimation of Random Variables
Estimate the value of an inaccessible random variable X in terms of the observation of an accessible random variable Y
MAP and ML Estimators
Maximum a
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Jointly Gaussian Variables
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Probability & Random Process
Gaussian Variables$$x \sim \mathcal{N}(\mu,\sigma^2) : f(x | \mu , \sigma^2) = \frac{1}{\sqrt{2\pi \sigma^2}}e^{-\frac{(x-\mu)^2}{2\sigma^2}}$$
$\mu$
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Coordinate Transformation
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Probability & Random Process
Jacobian MatrixIf $\mathbf{f}:\mathbb{R}^n\rightarrow \mathbb{R}^m$ is a function that maps from n-dimensional Euclidean space to m-dimensional Eucli
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Gaussian Troubleshooting
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Turecek Lab Tutorial
Troubleshooting about: Freq: Negative Frequency | Freq job never stops calculating vectors | Opt: Energy Oscillates | Opt: FormBX had a problem | Opt
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Hyak Tips
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Turecek Lab Tutorial
Tips on: file transfer | memory & disk space | python scripts | Run python: No such file or directory | squeue format | to be continue…
Hyak Mox O
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Newton-X on Hyak
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Turecek Lab Tutorial
Newton-X is a general-purpose program package for excited-state molecular dynamics, which is used to simulate absorption spectrum with GAUSSIAN09 in o
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Mopac with Cuby4
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Turecek Lab Tutorial
Two types of jobs, optimization and Born-Oppenheimer molecualr-dynamics with pm6 method, are introduced here. Linked python scripts should be useful t
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Gaussian on Hyak
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Turecek Lab Tutorial
Here introduces how to setup Gaussian input file, submit it to Hyak (super computer server) and analyze the output file by my python scripts. Scripts
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