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atomistic.software

atomistic.software

Using citation frequency to look at trends in the usage of atomistic simulation software.

January 2021 - today React
AiiDA

AiiDA

A workflow manager for computational science with a strong focus on provenance, performance and extensibility.

June 2017 - today Python
Materials Cloud

Materials Cloud

Open-science platform for seamless sharing of resources in computational materials science.

June 2017 - November 2021 flask, OpenStack, ansible, bokeh, panel, ...
ansible-dokku

ansible-dokku

An ansible role for the dokku PaaS.

December 2019 - November 2021 ansible, molecule, docker
MatScreen

MatScreen

A web platform that matches nanoporous materials to their applications.

February 2019 - July 2021 AiiDA, cp2k, raspa, zeo++, panel
Quantum Mobile

Quantum Mobile

A virtual machine for computational materials science.

September 2017 - July 2020 ansible, molecule, vagrant, VirtualBox
iDEA code

iDEA code

Solving the many-body Schrödinger equation in 1d

October 2016 - August 2018 Python, numpy, scipy
Moodle plugin for QuestionTeX

Moodle plugin for QuestionTeX

Write multiple-choice tests in LaTeX and import them into the Moodle LMS.

2009 - 2011 LaTeX, PHP, regular expressions