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List of works by Ari P. Seitsonen

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QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

2009 scientific article
Atomically precise bottom-up fabrication of graphene nanoribbons

scientific article published in Nature
Structure 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

scientific article published on 22 June 2012
Molecular dynamics simulation of liquid water: hybrid density functionals.

scientific article published in March 2006
Supramolecular control of the magnetic anisotropy in two-dimensional high-spin Fe arrays at a metal interface

scientific article published in February 2009
Structure, stability, edge states, and aromaticity of graphene ribbons

scientific article published on 27 August 2008
Unexpected hydrogen bond dynamics in imidazolium-based ionic liquids

scientific article published in November 2009
Five-vertex Archimedean surface tessellation by lanthanide-directed molecular self-assembly

scientific article published on 10 April 2013
Boron nitride on Cu(111): an electronically corrugated monolayer

scientific article published on 19 October 2012
Ionic liquids from Car-Parrinello simulations. 2. Structural diffusion leading to large anions in chloraluminate ionic liquids

scientific article published on 2 March 2007
STM Study of Terephthalic Acid Self-Assembly on Au(111): Hydrogen-Bonded Sheets on an Inhomogeneous Substrate†

Clar's theory, pi-electron distribution, and geometry of graphene nanoribbons

scientific article published on 01 March 2010
Electron-positron Car-Parrinello methods: Self-consistent treatment of charge densities and ionic relaxations

scientific article published in October 1995
Dehalogenation and coupling of a polycyclic hydrocarbon on an atomically thin insulator

scientific article published on 13 June 2014
Density Functional Theory Analysis of Carboxylate-Bridged Diiron Units in Two-Dimensional Metal−Organic Grids

scientific article published in May 2006
Effect of dispersion on the structure and dynamics of the ionic liquid 1-ethyl-3-methylimidazolium thiocyanate

scientific article published on 01 March 2012
Importance of van der Waals interactions in liquid water

scientific article published on 01 January 2009
From molten salts to room temperature ionic liquids: simulation studies on chloroaluminate systems.

scientific article
Buckybowls on metal surfaces: symmetry mismatch and enantiomorphism of corannulene on Cu110.

scientific article published in January 2007
First-principles simulation of intrinsic collision cascades in KCl and NaCl to test interatomic potentials at energies between 5 and 350 eV

scientific article published on 01 December 1991
Hidden polymorphs drive vitrification in B2O3.

scientific article published on 2 September 2012
Van der Waals effects in ab initio water at ambient and supercritical conditions

scientific article published on 01 October 2011
Structural and electronic properties of a large-scale Moiré pattern of hexagonal boron nitride on Cu(111) studied with density functional theory.

scientific article published in June 2013
Bonding mechanism and atomic geometry of an ordered hydroxyl overlayer on Pt(111)

scientific article published on 01 August 2001
Selective supramolecular fullerene-porphyrin interactions and switching in surface-confined C60-Ce(TPP)2 dyads.

scientific article published on 19 July 2012
Complex supramolecular interfacial tessellation through convergent multi-step reaction of a dissymmetric simple organic precursor.

scientific article published on 22 January 2018
Control of molecular organization and energy level alignment by an electronically nanopatterned boron nitride template

scientific article published on 11 December 2013
Lanthanide-Directed Assembly of Interfacial Coordination Architectures-From Complex Networks to Functional Nanosystems

scientific article published on 8 February 2018
Phosphorus vacancy in InP: A negative-U center

scientific article published on 01 March 1993
Chemical transformations drive complex self-assembly of uracil on close-packed coinage metal surfaces.

scientific article published on 2 March 2012
Corrugation in the Weakly Interacting Hexagonal-BN/Cu(111) System: Structure Determination by Combining Noncontact Atomic Force Microscopy and X-ray Standing Waves

scientific article published on 5 September 2017
Nature of the attractive interaction between proton acceptors and organic ring systems

scientific article published on 01 December 2012
Hydrogen transfer reaction on the surface of an oxide catalyst

scientific article published on 01 March 2005
Dynamical crossover at the liquid-liquid transformation of a compressed molten alkali metal

scientific article published on 16 August 2013
Stable deacon process for HCl oxidation over RuO2

scientific article published on 01 January 2008
Boroxol Rings in Liquid and Vitreous B2O3 from First Principles

scientific article published on 07 August 2008
Coverage Effect of the CO2 Adsorption Mechanisms on CeO2(111) by First Principles Analysis

Direct imaging of catalytically important processes in the oxidation of CO over RuO2(110).

scientific article published in November 2001
Indium and phosphorus vacancies and antisites in InP

scientific article published on 01 February 1994
Elemental Identification by Combining Atomic Force Microscopy and Kelvin Probe Force Microscopy

scientific article published on 01 June 2018
Introduction and recovery of point defects in electron-irradiated Te- and Si-doped GaAs studied by positron lifetime spectroscopy

scientific article published on 01 October 1995
Epitaxy-Induced Assembly and Enantiomeric Switching of an On-Surface Formed Dinuclear Organocobalt Complex.

scientific article published on 18 January 2017
Visualization of atomic processes on ruthenium dioxide using scanning tunneling microscopy

scientific article published on 01 February 2004
Self-assembly and chemical modifications of bisphenol a on Cu(111): interplay between ordering and thermally activated stepwise deprotonation.

scientific article
Sulfur radical species form gold deposits on Earth.

scientific article
Electronic Structure of an Organic/Metal Interface: Pentacene/Cu(110)

scientific article published on 31 October 2012
Understanding the structural deactivation of ruthenium catalysts on an atomic scale under both oxidizing and reducing conditions

scientific article published on 01 January 2005
Understanding the Superior Stability of Single-Molecule Magnets on an Oxide Film

scientific article published on 30 September 2019
Asymmetry Induction by Cooperative Intermolecular Hydrogen Bonds in Surface-Anchored Layers of Achiral Molecules

scientific article published on 13 October 2006
"First-principles" kinetic Monte Carlo simulations revisited: CO oxidation over RuO2 (110)

scientific article published on 18 January 2012

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