Rickard Armiento
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Functional designed to include surface effects in self-consistent density functional theory
R Armiento, AE Mattsson
Physical Review B 72 (8), 085108, 2005
Crystal structure representations for machine learning models of formation energies
F Faber, A Lindmaa, OA Von Lilienfeld, R Armiento
International Journal of Quantum Chemistry 115 (16), 1094-1101, 2015
Machine Learning Energies of 2 Million Elpasolite Crystals
FA Faber, A Lindmaa, OA Von Lilienfeld, R Armiento
Physical review letters 117 (13), 135502, 2016
Hybrid density functional calculations of redox potentials and formation energies of transition metal compounds
VL Chevrier, SP Ong, R Armiento, MKY Chan, G Ceder
Physical Review B 82 (7), 075122, 2010
The AM05 density functional applied to solids
AE Mattsson, R Armiento, J Paier, G Kresse, JM Wills, TR Mattsson
The Journal of chemical physics 128 (8), 2008
Nonequivalence of the generalized gradient approximations PBE and PW91
AE Mattsson, R Armiento, PA Schultz, TR Mattsson
Physical Review B 73 (19), 195123, 2006
Screening for high-performance piezoelectrics using high-throughput density functional theory
R Armiento, B Kozinsky, M Fornari, G Ceder
Physical Review B 84 (1), 014103, 2011
Implementing and testing the AM05 spin density functional
AE Mattsson, R Armiento
Physical Review B 79 (15), 155101, 2009
Orbital localization, charge transfer, and band gaps in semilocal density-functional theory
R Armiento, S Kümmel
Physical review letters 111 (3), 036402, 2013
Band structure engineering through orbital interaction for enhanced thermoelectric power factor
H Zhu, W Sun, R Armiento, P Lazic, G Ceder
Applied Physics Letters 104 (8), 2014
OPTIMADE, an API for exchanging materials data
CW Andersen, R Armiento, E Blokhin, GJ Conduit, S Dwaraknath, ...
Scientific data 8 (1), 217, 2021
Polarizabilities of polyacetylene from a field-counteracting semilocal functional
A Karolewski, R Armiento, S Kümmel
Journal of Chemical Theory and Computation 5 (4), 712-718, 2009
Subsystem functionals in density-functional theory: Investigating the exchange energy per particle
R Armiento, AE Mattsson
Physical Review B 66 (16), 165117, 2002
Low intensity conduction states in FeS2: implications for absorption, open-circuit voltage and surface recombination
P Lazić, R Armiento, FW Herbert, R Chakraborty, R Sun, MKY Chan, ...
Journal of Physics: Condensed Matter 25 (46), 465801, 2013
Electrical response of molecular chains in density functional theory: Ultranonlocal response from a semilocal functional
R Armiento, S Kümmel, T Körzdörfer
Physical Review B 77 (16), 165106, 2008
First principles predictions of magneto-optical data for semiconductor point defect identification: the case of divacancy defects in 4H–SiC
J Davidsson, V Ivády, R Armiento, NT Son, A Gali, IA Abrikosov
New Journal of Physics 20 (2), 023035, 2018
High-throughput screening of perovskite alloys for piezoelectric performance and thermodynamic stability
R Armiento, B Kozinsky, G Hautier, M Fornari, G Ceder
Physical Review B 89 (13), 134103, 2014
Theoretical unification of hybrid-DFT and DFT+ U methods for the treatment of localized orbitals
V Ivády, R Armiento, K Szász, E Janzén, A Gali, IA Abrikosov
Physical Review B 90 (3), 035146, 2014
Comment on “Restoring the Density-Gradient<? format?> Expansion for Exchange in Solids and Surfaces”
AE Mattsson, R Armiento, TR Mattsson
Physical review letters 101 (23), 239701, 2008
An ontology for the materials design domain
H Li, R Armiento, P Lambrix
International Semantic Web Conference, 212-227, 2020
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