<i>Ab initio</i>molecular dynamics for liquid metals
We present ab initio quantum-mechanical molecular-dynamics calculations based on the calculation of the electronic ground state and of the Hellmann-Feynman forces in the local-d...
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1,919 publications
Three Approaches to Qualitative Content Analysis
Content analysis is a widely used qualitative research technique. Rather than being a single method, current applications of content analysis show three distinct approaches: con...
Comparison of simple potential functions for simulating liquid water
Classical Monte Carlo simulations have been carried out for liquid water in the NPT ensemble at 25 °C and 1 atm using six of the simpler intermolecular potential functions for t...
Highly accurate protein structure prediction with AlphaFold
Abstract Proteins are essential to life, and understanding their structure can facilitate a mechanistic understanding of their function. Through an enormous experimental effort ...
Basics of qualitative research : techniques and procedures for developing grounded theory
Part I: Introduction to Grounded Theory of Anselm Strauss Chapter 1: Inspiration and Background Chapter 2: Theoretical Foundations Chapter 3: Practical Considerations for Gettin...
An Inventory for Measuring Depression
The difficulties inherent in obtaining consistent and adequate diagnoses for the purposes of research and therapy have been pointed out by a number of authors. Pasamanick<sup>12...
Fully convolutional networks for semantic segmentation
Convolutional networks are powerful visual models that yield hierarchies of features. We show that convolutional networks by themselves, trained end-to-end, pixels-to-pixels, ex...
The MOS 36-item short-form health survey (SF-36). I. Conceptual framework and item selection.
A 36-item short-form (SF-36) was constructed to survey health status in the Medical Outcomes Study. The SF-36 was designed for use in clinical practice and research, health poli...
PRISMA Extension for Scoping Reviews (PRISMA-ScR): Checklist and Explanation
Scoping reviews, a type of knowledge synthesis, follow a systematic approach to map evidence on a topic and identify main concepts, theories, sources, and knowledge gaps. Althou...