Other works

Websites, software, etc.

The open materials database is meant as a research database / toolset to aid in materials design. It is currently under construction at this address:

• Open Materials Database

The Open Materials Database is built using a the High-Throughput Toolkit (httk). It is a freely available open source framework for preparing and running calculations, analyzing the results, and store them in a global and/or in a personalized database. Httk documentation and downloads are available here:

• The high-throughput toolkit

Other software I am credited on:

• The Elk FP-LAPW Code
• Deal.II SLEPcWrappers
• Pymatgen
• Socorro pseudopotential converter (Inside download, socorro/fhi_cvt/convgen)

Computational codes where the Armiento-Mattsson 2005 and the Armiento-Kümmel 2013 functionals are implemented

• Native implementations of AM05 in official release:
  • VASP
  • Elk (See documentation pdf, section 'xctype') and Excting
  • rspt
  • Socorro
• LibXC-based implementations, which contain both AM05 and AK13:
  • Abinit, ADF, APE, Atomistix ToolKit, AtomPAW, BigDFT, CP2K, DP, Elk, ERKALE, exciting, FHI-AIMS, GPAW, Horton, JDFTx, MADNESS, MOLGW, Octopus, PROFESS, Psi4, Quantum Espresso, WIEN2k, Yamo)

Datasets

• ABC2D6-16

Non-peer-reviewed reports, etc.

- Numerical integration of functions originating from quantum mechanics: A report on some testing of an numerical scheme for integration of analytic functions. Was also published as part of my PhD thesis.

Posters:

- Recent developments of subsystem functionals: Solving the subsystem functional puzzle: a poster that I had at a quite early conference, on AM05 and the subsystem functional scheme.

- Ultra non-local response from a semi-local functional: poster on using a modified version of the Becke-Johnson potential construct for polarizabilities.

Lecture Notes in English

• Lecture notes for Materials at Equilibrium, MIT 3.20.

Lecture Notes in Swedish

• Swedish lecture notes for Theromdynamics and Statistical Mechanics (TFYA12), Linköping University.
• Swedish lecture nodes for parts of Modern Physics II (TFYA74), Linköping University: Computational materials science and quantum chemistry and Quantum Information.