List of works - Rickard Armiento

A theoretical investigation of mixing thermodynamics, age-hardening potential, and electronic structure of ternary M(1)1-x M(2)xB2 alloys with AlB2 type structure

scientific article published on 13 May 2015

Alternative separation of exchange and correlation in density-functional theory

scientific article

An Ontology for the Materials Design Domain

scientific article published in 2020

Big Semantic Data Processing in the Materials Design Domain

Comment on "restoring the density-gradient expansion for exchange in solids and surfaces"

scientific article published on 05 December 2008

Electronic surface error in the Si interstitial formation energy

scientific article

Extending Ontologies in the Nanotechnology Domain using Topic Models and Formal Topical Concept Analysis on Unstructured Text

scientific article published in proceedings of the iswc 2019 satellite tracks (posters & demonstrations, industry, and outrageous ideas)

First principles predictions of magneto-optical data for semiconductor point defect identification: the case of divacancy defects in 4H–SiC

article published in 2018

Functional designed to include surface effects in self-consistent density functional theory

scientific article

High-throughput screening of perovskite alloys for piezoelectric performance and thermodynamic stability

scholarly article in Physical Review B, vol. 89 no. 13, April 2014

Implementing and testing the AM05 spin density functional

scientific article

Machine Learning Energies of 2 Million Elpasolite (ABC_{2}D_{6}) Crystals. ⬇️

scientific article published on 20 September 2016

Multiple π-bands and Bernal stacking of multilayer graphene on C-face SiC, revealed by nano-Angle Resolved Photoemission

scientific article published on 24 February 2014

Nonequivalence of the generalized gradient approximations PBE and PW91

scientific article

OBG-gen: Ontology-Based GraphQL Server Generation for Data Integration

scientific article published in proceedings of the iswc 2023 posters, demos and industry tracks: from novel ideas to industrial practice

OPTIMADE, an API for exchanging materials data

scientific article published on 12 August 2021

Orbital localization, charge transfer, and band gaps in semilocal density-functional theory

scientific article published on 17 July 2013

Polarizabilities of Polyacetylene from a Field-Counteracting Semilocal Functional

scientific article published on 20 March 2009

Quantifying the anomalous self-diffusion in molybdenum with first-principles simulations

scientific article

Quantum oscillations in the kinetic energy density: Gradient corrections from the Airy gas

scholarly article in Physical Review B, vol. 90 no. 7, August 2014

Screening for high-performance piezoelectrics using high-throughput density functional theory

scholarly article in Physical Review B, vol. 84 no. 1, July 2011

Subsystem functionals and the missing ingredient of confinement physics in density functionals

scientific article

Subsystem functionals in density-functional theory: Investigating the exchange energy per particle

scientific article

The AM05 density functional applied to solids

scientific article published on 01 February 2008

The subsystem functional scheme: The Armiento-Mattsson 2005 (AM05) functional and beyond

scientific article

Theoretical study of phase stability, crystal and electronic structure of MeMgN2 (Me = Ti, Zr, Hf) compounds

scientific article published on 30 November 2017

Theoretical unification of hybrid-DFT andDFT + Umethods for the treatment of localized orbitals ⬇️

scholarly article in Physical Review B, vol. 90 no. 3, July 2014

Using the electron localization function to correct for confinement physics in semi-local density functional theory.

scientific article published on May 2014

List of works by Rickard Armiento

A theoretical investigation of mixing thermodynamics, age-hardening potential, and electronic structure of ternary M(1)1-x M(2)xB2 alloys with AlB2 type structure

Alternative separation of exchange and correlation in density-functional theory

An Ontology for the Materials Design Domain

Big Semantic Data Processing in the Materials Design Domain

Comment on "restoring the density-gradient expansion for exchange in solids and surfaces"

Electronic surface error in the Si interstitial formation energy

Extending Ontologies in the Nanotechnology Domain using Topic Models and Formal Topical Concept Analysis on Unstructured Text

First principles predictions of magneto-optical data for semiconductor point defect identification: the case of divacancy defects in 4H–SiC

Functional designed to include surface effects in self-consistent density functional theory

High-throughput screening of perovskite alloys for piezoelectric performance and thermodynamic stability

Implementing and testing the AM05 spin density functional

Machine Learning Energies of 2 Million Elpasolite (ABC_{2}D_{6}) Crystals. ⬇️

Multiple π-bands and Bernal stacking of multilayer graphene on C-face SiC, revealed by nano-Angle Resolved Photoemission

Nonequivalence of the generalized gradient approximations PBE and PW91

OBG-gen: Ontology-Based GraphQL Server Generation for Data Integration

OPTIMADE, an API for exchanging materials data

Orbital localization, charge transfer, and band gaps in semilocal density-functional theory

Polarizabilities of Polyacetylene from a Field-Counteracting Semilocal Functional

Quantifying the anomalous self-diffusion in molybdenum with first-principles simulations

Quantum oscillations in the kinetic energy density: Gradient corrections from the Airy gas

Screening for high-performance piezoelectrics using high-throughput density functional theory

Subsystem functionals and the missing ingredient of confinement physics in density functionals

Subsystem functionals in density-functional theory: Investigating the exchange energy per particle

The AM05 density functional applied to solids

The subsystem functional scheme: The Armiento-Mattsson 2005 (AM05) functional and beyond

Theoretical study of phase stability, crystal and electronic structure of MeMgN2 (Me = Ti, Zr, Hf) compounds

Theoretical unification of hybrid-DFT andDFT + Umethods for the treatment of localized orbitals ⬇️

Using the electron localization function to correct for confinement physics in semi-local density functional theory.