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Abstract This book provides a practical guide to molecular dynamics and Monte Carlo simulation techniques used in the modelling of simple and complex liquids. Computer simulation is an essential tool in studying the chem...

Computer experiments using particle models A one-dimensional plasma model The simulation program Time integration schemes The particle-mesh force calculation The solution of field equations Collisionless particle models ...

Subjects / keywords: Materials science; Computer science; Chemistry

Subjects / keywords: ACADEMIC PRESS; 304.6 C738c

Subjects / keywords: Juegos y Actividades /General

The LMC paradigm is not a recent approach to teaching computer architecture: it has been presented, tested and used since 1965, first by its authors, Madnick and Donovan, and their MIT students, and since then in many ot...

In this work an adapted problem based learning strategy is presented for the particular case of rst year computer science university students. A pilot study was conducted to determine the validity of the proposed altern...

GROMACS is one of the most widely used open-source and free software codes in chemistry, used primarily for dynamical simulations of biomolecules. It provides a rich set of calculation types, preparation and analysis too...

Computer simulations using Cellular Automata (CA) have been applied with considerable success in diferent scientific areas, such as chemistry, biochemistry, economy, physics, etc. In this work we use CA in order to speci...

Computer simulations using Cellular Automata (CA) have been applied with considerable success in different scientific areas. In this work we use CA in order to specify and implement a simulation model that allows to inve...

This paper is an attempt to define how a specific data structure might be used to store, in a persistent manner, temporal information during a computer simulation. In particular, it considers the sort of temporal informa...

Biologically realistic computer simulation of vertebrate locomotion is an interesting and challenging problem with applications in computer graphics and robotics. One current approach simulates a relatively simple verteb...

Second and revised edition
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\nUnderstanding Molecular Simulation: From Algorithms to Applications explains the physics behind the "recipes" of molecular simulation for materials science. Computer simulators are...

Organized anarchies are organizations characterized by problematic preferences, unclear technology, and fluid participation. Recent studies of universities, a familiar form of organized anarchy, suggest that such organiz...

The increase in the number of large data sets and the complexity of current probabilistic sequence evolution models necessitates fast and reliable phylogeny reconstruction methods. We describe a new approach, based on th...

We propose a flexible technique to easily calibrate a camera. It only requires the camera to observe a planar pattern shown at a few (at least two) different orientations. Either the camera or the planar pattern can be f...

This paper presents a spreading-acti vation theory of human semantic processing, which can be applied to a wide range of recent experimental results. The theory is based on Quillian's theory of semantic memory search and...

Summary In recent years the use of species distribution models by ecologists and conservation managers has increased considerably, along with an awareness of the need to provide accuracy assessment for predictions of suc...

Bayesian Data Analysis describes how to conceptualize, perform, and critique statistical analyses from a Bayesian perspective. Using examples largely from the authors' own experiences, the book focuses on modern computat...

SUMMARY: DnaSP is a software package for the analysis of DNA polymorphism data. Present version introduces several new modules and features which, among other options allow: (1) handling big data sets (approximately 5 Mb...

This brief perspective article focuses on the most common errors and pitfalls, as well as the do's and don'ts in drug combination studies, in terms of experimental design, data acquisition, data interpretation, and compu...

In this article, we accomplish two things. First, we show that despite empirical psychologists' nominal endorsement of a low rate of false-positive findings (≤ .05), flexibility in data collection, analysis, and report...

Active disturbance rejection control (ADRC) can be summarized as follows: it inherits from proportional-integral-derivative (PID) the quality that makes it such a success: the error driven, rather than model-based, contr...

A multiple sequence alignment program, MAFFT, has been developed. The CPU time is drastically reduced as compared with existing methods. MAFFT includes two novel techniques. (i) Homo logous regions are rapidly identified...