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Metadynamics (MTD; also abbreviated as METAD or MetaD) is a computer simulation method in computational physics, chemistry and biology.It is used to estimate the free energy and other state functions of a system, where ergodicity is hindered by the form of the system's energy landscape.
Umbrella sampling is a technique in computational physics and chemistry, used to improve sampling of a system (or different systems) where ergodicity is hindered by the form of the system's energy landscape. It was first suggested by Torrie and Valleau in 1977. [1]
A wide range of research methods are used in psychology. These methods vary by the sources from which information is obtained, how that information is sampled, and the types of instruments that are used in data collection. Methods also vary by whether they collect qualitative data, quantitative data or both.
Situation sampling involves the study of behavior in many different locations, and under different circumstances and conditions. [2] By sampling different situations, researchers reduce the chance that the results they obtain will be particular to a certain set of circumstances or conditions.
When examining a system computationally one may be interested in knowing how the free energy changes as a function of some inter- or intramolecular coordinate (such as the distance between two atoms or a torsional angle). The free energy surface along the chosen coordinate is referred to as the potential of mean force (PMF). If the system of ...
For example, let the design effect, for estimating the population mean based on some sampling design, be 2. If the sample size is 1,000, then the effective sample size will be 500. It means that the variance of the weighted mean based on 1,000 samples will be the same as that of a simple mean based on 500 samples obtained using a simple random ...
Given an r-sample statistic, one can create an n-sample statistic by something similar to bootstrapping (taking the average of the statistic over all subsamples of size r). This procedure is known to have certain good properties and the result is a U-statistic. The sample mean and sample variance are of this form, for r = 1 and r = 2.
Coding reliability [4] [2] approaches have the longest history and are often little different from qualitative content analysis. As the name suggests they prioritise the measurement of coding reliability through the use of structured and fixed code books, the use of multiple coders who work independently to apply the code book to the data, the measurement of inter-rater reliability or inter ...