about
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materialsSulfur radical species form gold deposits on Earth.Five-vertex Archimedean surface tessellation by lanthanide-directed molecular self-assemblyStructure and Dynamics of Liquid Water from ab Initio Molecular Dynamics-Comparison of BLYP, PBE, and revPBE Density Functionals with and without van der Waals Corrections.Hidden polymorphs drive vitrification in B2O3.Unexpected hydrogen bond dynamics in imidazolium-based ionic liquids.From molten salts to room temperature ionic liquids: simulation studies on chloroaluminate systems.Self-assembly and chemical modifications of bisphenol a on Cu(111): interplay between ordering and thermally activated stepwise deprotonation.Supramolecular control of the magnetic anisotropy in two-dimensional high-spin Fe arrays at a metal interface.Chemical transformations drive complex self-assembly of uracil on close-packed coinage metal surfaces.Structural and electronic properties of a large-scale Moiré pattern of hexagonal boron nitride on Cu(111) studied with density functional theory.Buckybowls on metal surfaces: symmetry mismatch and enantiomorphism of corannulene on Cu110.Selective supramolecular fullerene-porphyrin interactions and switching in surface-confined C60-Ce(TPP)2 dyads.Corrugation in the Weakly Interacting Hexagonal-BN/Cu(111) System: Structure Determination by Combining Noncontact Atomic Force Microscopy and X-ray Standing Waves.Epitaxy-Induced Assembly and Enantiomeric Switching of an On-Surface Formed Dinuclear Organocobalt Complex.Lanthanide-Directed Assembly of Interfacial Coordination Architectures-From Complex Networks to Functional Nanosystems.Ionic liquids from Car-Parrinello simulations. 2. Structural diffusion leading to large anions in chloraluminate ionic liquids.Ionic liquids from Car-Parrinello simulations, part I: liquid AlCl3.Electron-positron Car-Parrinello methods: Self-consistent treatment of charge densities and ionic relaxations.Dynamical crossover at the liquid-liquid transformation of a compressed molten alkali metal.Molecular dynamics simulation of liquid water: hybrid density functionals.Complex supramolecular interfacial tessellation through convergent multi-step reaction of a dissymmetric simple organic precursor.Direct imaging of catalytically important processes in the oxidation of CO over RuO2(110).Formation, migration, and clustering of point defects in CuInSe2 from first principles.Atomically precise bottom-up fabrication of graphene nanoribbonsUltrathin Rh films on Ru(0001): Oxidation in confinementDynamic response of chlorine atoms on a RuO2(110) model catalyst surfaceHierarchically Organized Bimolecular Ladder Network Exhibiting Guided One-Dimensional DiffusionFunctionalization of CeO2(1 1 1) by Deposition of Small Ni Clusters: Effects on CO2Adsorption and O Vacancy FormationCoverage Effect of the CO2 Adsorption Mechanisms on CeO2(111) by First Principles AnalysisSTM Study of Terephthalic Acid Self-Assembly on Au(111): Hydrogen-Bonded Sheets on an Inhomogeneous Substrate†Electronic Structure of an Organic/Metal Interface: Pentacene/Cu(110)Density Functional Theory Analysis of Carboxylate-Bridged Diiron Units in Two-Dimensional Metal−Organic GridsAsymmetry Induction by Cooperative Intermolecular Hydrogen Bonds in Surface-Anchored Layers of Achiral MoleculesProton disorder in cubic ice: Effect on the electronic and optical propertiesElectrostatic Interaction across a Single-Layer Carbon ShellBonding mechanism and atomic geometry of an ordered hydroxyl overlayer on Pt(111)Phosphorus vacancy in InP: A negative-U centerCrystals from metallic clusters: A first-principles calculationIndium and phosphorus vacancies and antisites in InP
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P50
description
hulumtues
@sq
researcher
@en
wetenschapper
@nl
հետազոտող
@hy
name
Ari P Seitsonen
@es
Ari P. Seitsonen
@en
Ari P. Seitsonen
@nl
type
label
Ari P Seitsonen
@es
Ari P. Seitsonen
@en
Ari P. Seitsonen
@nl
prefLabel
Ari P Seitsonen
@es
Ari P. Seitsonen
@en
Ari P. Seitsonen
@nl
P1053
B-1552-2009
P106
P1153
7004093445
P21
P2456
P2798
P31
P3829
P496
0000-0003-4331-0650
P569
2000-01-01T00:00:00Z