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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]
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.
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.
PLUMED is an open-source library implementing enhanced-sampling algorithms, various free-energy methods, and analysis tools for molecular dynamics simulations. It is designed to be used together with ACEMD, AMBER, DL_POLY, GROMACS, LAMMPS, NAMD, OpenMM, ABIN, CP2K, i-PI, PINY-MD, and Quantum ESPRESSO, but it can also be used together with analysis and visualization tools VMD, HTMD, and ...
Rare event sampling is an umbrella term for a group of computer simulation methods intended to selectively sample 'special' regions of the dynamic space of systems which are unlikely to visit those special regions through brute-force simulation.
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.
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 ...
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.