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This prevents the simulation from adequately sampling both phases. Umbrella sampling is a means of "bridging the gap" in this situation. The standard Boltzmann weighting for Monte Carlo sampling is replaced by a potential chosen to cancel the influence of the energy barrier present. The Markov chain generated has a distribution given by
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.
The term "PowerPoint karaoke" is also sometimes derisively used to refer to presenters who face the screen where their PowerPoint slides are being projected and proceed to read them, boring and effectively ignoring their audience. Spanish conceptual artist Rubén Grilo used "PowerPoint Karaoke" as a title for a show at MARCO in June 2011.
Social psychology utilizes a wide range of specific theories for various kinds of social and cognitive phenomena. Here is a sampling of some of the more influential theories that can be found in this branch of psychology. Attribution theory – is concerned with the ways in which people explain (or attribute) the behaviour of others. The theory ...
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 ...
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 ...
The experience sampling method (ESM), [1] also referred to as a daily diary method, or ecological momentary assessment (EMA), is an intensive longitudinal research methodology that involves asking participants to report on their thoughts, feelings, behaviors, and/or environment on multiple occasions over time. [2]