well-tempered metadynamics is used to change the Gaussian size adaptively. Also, the Gaussian width can be adapted with the adaptive Gaussian metadynamics. Metadynamics...

management Entity Data Model Euclidean distance matrix Experiment-directed metadynamics Edmonton, Alberta, Canada Edmonds station, Edmonds, Washington, United...

recent advances have been the development of the Martonak version of metadynamics, the Oganov-Glass evolutionary algorithm USPEX, and first principles...

using such approaches as evolutionary algorithms, random sampling, or metadynamics. The crystal structures of simple ionic solids (e.g., NaCl or table salt)...

dynamism, dynamite, dynamo, dynast, dynastic, dynasty, heterodyne, metadynamics dys- badly, ill Greek δυσ- (dus-) dysentery, dysphagia, dysphasia, dysplasia...

(MPI) libraries, allowing replica exchange simulations, multiple walkers metadynamics simulations and multiple steered molecular dynamics nonequilibrium trajectories...

techniques such as accelerated-MD simulations, replica exchange simulations, metadynamics, multicanonical MD simulations, or methods using coarse-grained representation...

device, a type of device file in Linux for interacting with flash memory Metadynamics, a computer simulation method in computational physics, chemistry and...

all-electron calculations. CP2K can do simulations of molecular dynamics, metadynamics, Monte Carlo, Ehrenfest dynamics, vibrational analysis, core level spectroscopy...

potential (as done in the metadynamics method) or the bias potential can be used for umbrella sampling (as done in metadynamics with umbrella sampling corrections...

Theiler and Seth Lloyd. Farmer and Norman Packard developed the concept of metadynamics, i.e. co-evolving networks and dynamical systems. For example, the nodes...

the folding of proteins. The Wang–Landau sampling is related to the metadynamics algorithm. The Wang and Landau algorithm is used to obtain an estimate...

Laio, Alessandro (2012-01-01). "METAGUI. A VMD interface for analyzing metadynamics and molecular dynamics simulations". Computer Physics Communications...

dynamism, dynamite, dynamo, dynast, dynastic, dynasty, heterodyne, metadynamics dys- badly, ill Greek δυσ- (dus-) dysentery, dysphagia, dysphasia, dysplasia...

the Glycosylation Step Catalyzed by Golgi α-Mannosidase II: A QM/MM Metadynamics Investigation". Journal of the American Chemical Society. 132 (24): 8291–8300...

molecular mechanisms of ligand recognition by opioid receptors with metadynamics". Biochemistry. 48 (42): 10020–9. doi:10.1021/bi901494n. PMC 2764813...

Physical Review Letters) Parrinello–Rahman algorithm Flying ice cube Metadynamics Machine learning potential "2020 European Chemistry Gold Medal will be...

including density functional theory (DFT), molecular dynamics, docking, and metadynamics. The distribution coefficient predictions were introduced for the first...

stresses have to be high. Some authors have used the term 'postdynamic' or 'metadynamic' to describe recrystallization that occurs during the cooling phase of...

Effect of Antagonist Vismodegib on Smoothened Receptor Deactivation Using Metadynamics Simulation". Front Chem. 7: 406. Bibcode:2019FrCh....7..406Y. doi:10...

Meta-material cloak Meta-materials cloak Meta material Meta materials Metadynamics Metafluid dynamics Metal Metal-induced gap states Metal K-edge Metal...