GitHub

Scripts for interacting with CASTEP input and output files for simulations that model solid solutions using the Virtual Crystal Approximation (VCA).

The unittests.py script can be run to check that most functionality within these modules works (i.e. does not throw up an error). However for a tutorial on how to use the scripts, I recommend looking ...
IEEE

IEEE Communications Surveys and Tutorials

Abstract: I welcome you to the fourth issue of the IEEE Communications Surveys and Tutorials in 2021. This issue includes 23 papers covering different aspects of communication networks. In particular, ...
GitHub

BandUP: Band Unfolding code for Plane-wave based calculations

BandUP is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 of the License, or ...
C&EN

Systematic Comparison of Genetic Algorithm and Basin Hopping Approaches to the Global Optimization of Si(111) Surface Reconstructions

Get article recommendations from ACS based on references in your Mendeley library. Pair your accounts.
C&EN

Assessment of GAFF and OPLS Force Fields for Urea: Crystal and Aqueous Solution Properties

Get article recommendations from ACS based on references in your Mendeley library. Pair your accounts.