atomistic.software
Using citation frequency to look at trends in the usage of atomistic simulation software.
January 2021 - today ReactAiiDA
A workflow manager for computational science with a strong focus on provenance, performance and extensibility.
June 2017 - today PythonMaterials Cloud
Open-science platform for seamless sharing of resources in computational materials science.
June 2017 - November 2021 flask, OpenStack, ansible, bokeh, panel, ...ansible-dokku
An ansible role for the dokku PaaS.
December 2019 - November 2021 ansible, molecule, dockerMatScreen
A web platform that matches nanoporous materials to their applications.
February 2019 - July 2021 AiiDA, cp2k, raspa, zeo++, panelQuantum Mobile
A virtual machine for computational materials science.
September 2017 - July 2020 ansible, molecule, vagrant, VirtualBoxiDEA code
Solving the many-body Schrödinger equation in 1d
October 2016 - August 2018 Python, numpy, scipyMoodle plugin for QuestionTeX
Write multiple-choice tests in LaTeX and import them into the Moodle LMS.
2009 - 2011 LaTeX, PHP, regular expressions