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Role-games, computer simulations, robots and augmented reality as new learning tecnologies: a guide for teachers, educators and trainers

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Role-games, computer simulations, robots and augmented reality as new learning tecnologies: a guide for teachers, educators and trainers

Nigrelli, Maria Luisa; Miglino, Orazio; Sica, Luigia Simona · Universitat Jaume I. Servei de Comunicació i Publicacions · 2013 · ISBN 9788480219228

Subjects / keywords: Juegos y Actividades /General

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UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations

Article

UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations

Anthony K. Rappé; C. J. Casewit; K. S. Colwell; William A. Goddard; W. M. Skiff · Journal of the American Chemical Society · 1992

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTUFF, a full periodic table force field for molecular mechanics and molecular dynamics simulationsA. K. Rappe, C. J. Casewit, K. S. Colwell, W. A. Goddard III, and W. M. SkiffCi...

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Inference from Iterative Simulation Using Multiple Sequences

Article

Inference from Iterative Simulation Using Multiple Sequences

Andrew Gelman; Donald B. Rubin · Statistical Science · 1992

The Gibbs sampler, the algorithm of Metropolis and similar iterative simulation methods are potentially very helpful for summarizing multivariate distributions. Used naively, however, iterative simulation can give mislea...

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Settle: An analytical version of the SHAKE and RATTLE algorithm for rigid water models

Article

Settle: An analytical version of the SHAKE and RATTLE algorithm for rigid water models

Shuichi Miyamoto; Peter A. Kollman · Journal of Computational Chemistry · 1992

Abstract An analytical algorithm, called SETTLE, for resetting the positions and velocities to satisfy the holonomic constraints on the rigid water model is presented. This method is still based on the Cartesian coordina...

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THE weighted histogram analysis method for free‐energy calculations on biomolecules. I. The method

Article

THE weighted histogram analysis method for free‐energy calculations on biomolecules. I. The method

Shankar Kumar; John M. Rosenberg; Djamal Bouzida; Robert H. Swendsen; Peter A. Kollman · Journal of Computational Chemistry · 1992

Abstract The Weighted Histogram Analysis Method (WHAM), an extension of Ferrenberg and Swendsen's Multiple Histogram Technique, has been applied for the first time on complex biomolecular Hamiltonians. The method is pres...

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