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QUANTUM ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling, based on density-functional theory, plane waves, and pseudopotentials (norm-conserving, ultrasoft, a...

Since the classical molecular dynamics simulator LAMMPS was released as an open source code in 2004, it has become a widely-used tool for particle-based modeling of materials at length scales ranging from atomic to mesos...

Abstract Array programming provides a powerful, compact and expressive syntax for accessing, manipulating and operating on data in vectors, matrices and higher-dimensional arrays. NumPy is the primary array programming l...

BACKGROUND: A frequent problem in computational modeling is the interconversion of chemical structures between different formats. While standard interchange formats exist (for example, Chemical Markup Language) and de fa...

BACKGROUND: the analysis of microbial communities through dna sequencing brings many challenges: the integration of different types of data with methods from ecology, genetics, phylogenetics, multivariate statistics, vis...

The handwritten manuscript recognizing process belongs to a set of initiatives which lean to the preservation of cultural patrimony gathered in libraries and archives, where there exist a great wealth in documents and ev...

The Cambridge Structural Database (CSD) contains a complete record of all published organic and metal-organic small-molecule crystal structures. The database has been in operation for over 50 years and continues to be th...

The Nature of Viscoelastic Behavior. Illustrations of Viscoelastic Behavior of Polymeric Systems. Exact Interrelations among the Viscoelastic Functions. Approximate Interrelations among the Linear Viscoelastic Functions....

The Open Visualization Tool (OVITO) is a new 3D visualization software designed for post-processing atomistic data obtained from molecular dynamics or Monte Carlo simulations. Unique analysis, editing and animations func...

"Vaca Muerta Formation in Neuquén Basin, Argentina, is one of the great worldwide promises given its potential as a non-conventional reservoir. Because of the intrinsic heterogeneity and low permeability, hydraulic frac...

"In the ICELABPatagonia project, different laboratories for Karukinka National Park in Chile were designed. The main objective of these laboratories was to provide shelter against the area’s tough weather conditions, s...

Introduction - Norman K Denzin and Yvonna S Lincoln The Discipline and Practice of Qualitative Research PART ONE: LOCATING THE FIELD Qualitative Methods - Arthur J Vidich and Stanford M Lyman Their History in Sociology a...

List of Boxes List of Tables and Figures Foreword Acknowledgments 1. Defining Content Analysis Is Content Analysis Easy? Is It Something That Anyone Can Do? A Six-Part Definition of Content Analysis 2. Milestones in the ...