Andris Gulans
Title
Cited by
Cited by
Year
van der Waals bonding in layered compounds from advanced density-functional first-principles calculations
T Björkman, A Gulans, AV Krasheninnikov, RM Nieminen
Physical review letters 108 (23), 235502, 2012
5802012
Reproducibility in density functional theory calculations of solids
K Lejaeghere, G Bihlmayer, T Björkman, P Blaha, S Blügel, V Blum, ...
Science 351 (6280), 2016
5512016
Exciting: a full-potential all-electron package implementing density-functional theory and many-body perturbation theory
A Gulans, S Kontur, C Meisenbichler, D Nabok, P Pavone, S Rigamonti, ...
Journal of Physics: Condensed Matter 26 (36), 363202, 2014
2002014
Linear-scaling self-consistent implementation of the van der Waals density functional
A Gulans, MJ Puska, RM Nieminen
Physical Review B 79 (20), 201105, 2009
1772009
Are we van der Waals ready?
T Björkman, A Gulans, AV Krasheninnikov, RM Nieminen
Journal of Physics: Condensed Matter 24 (42), 424218, 2012
1482012
Electronic structure of boron nitride sheets doped with carbon from first-principles calculations
N Berseneva, A Gulans, AV Krasheninnikov, RM Nieminen
Physical Review B 87 (3), 035404, 2013
1252013
Role of van der Waals interaction in forming molecule-metal junctions: flat organic molecules on the Au (111) surface
M Mura, A Gulans, T Thonhauser, L Kantorovich
Physical Chemistry Chemical Physics 12 (18), 4759-4767, 2010
1132010
Cathodoluminescence of Ge+, Si+, and O+ implanted SiO2 layers and the role of mobile oxygen in defect transformations
HJ Fitting, T Barfels, AN Trukhin, B Schmidt, A Gulans, A Von Czarnowski
Journal of Non-Crystalline Solids 303 (2), 218-231, 2002
1092002
Accurate all-electron quasiparticle energies employing the full-potential augmented plane-wave method
D Nabok, A Gulans, C Draxl
Physical Review B 94 (3), 035118, 2016
542016
Role of van der Waals forces in the adsorption and diffusion of organic molecules on an insulating surface
OH Pakarinen, JM Mativetsky, A Gulans, MJ Puska, AS Foster, P Grutter
Physical Review B 80 (8), 085401, 2009
482009
Lennard‐Jones parameters for small diameter carbon nanotubes and water for molecular mechanics simulations from van der Waals density functional calculations
M Kaukonen, A Gulans, P Havu, E Kauppinen
Journal of computational chemistry 33 (6), 652-658, 2012
382012
Bound and free self-interstitial defects in graphite and bilayer graphene: A computational study
A Gulans, AV Krasheninnikov, MJ Puska, RM Nieminen
Physical Review B 84 (2), 024114, 2011
352011
Ab initio calculation of wurtzite‐type GaN nanowires
A Gulans, I Tale
physica status solidi c 4 (3), 1197-1200, 2007
332007
Two‐Dimensional Nanostructured Growth of Nanoclusters and Molecules on Insulating Surfaces
C Barth, M Gingras, AS Foster, A Gulans, G Félix, T Hynninen, R Peresutti, ...
Advanced Materials 24 (24), 3228-3232, 2012
272012
Towards numerically accurate many-body perturbation theory: Short-range correlation effects
A Gulans
The Journal of chemical physics 141 (16), 164127, 2014
242014
Adsorption structures of phenol on the surface calculated using density functional theory
K Johnston, A Gulans, T Verho, MJ Puska
Physical Review B 81 (23), 235428, 2010
182010
Acetylene adsorption on silicon (100)-(4× 2) revisited
PT Czekala, H Lin, WA Hofer, A Gulans
Surface science 605 (15-16), 1341-1346, 2011
162011
Ab initio calculations of charged point defects in GaN
A Gulans, RA Evarestov, I Tale, CC Yang
physica status solidi (c) 2 (1), 507-510, 2005
152005
Microhartree precision in density functional theory calculations
A Gulans, A Kozhevnikov, C Draxl
Physical Review B 97 (16), 161105, 2018
132018
Graphene-modulated photo-absorption in adsorbed azobenzene monolayers
Q Fu, C Cocchi, D Nabok, A Gulans, C Draxl
Physical Chemistry Chemical Physics 19 (8), 6196-6205, 2017
112017
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Articles 1–20