List of works - Risto M. Nieminen

A configurational and conformational study of aframodial and its diasteriomers via experimental and theoretical VA and VCD spectroscopies

A first-principles study on magnetic coupling between carbon adatoms on graphene

Adsorption and migration of carbon adatoms on zigzag carbon nanotubes

scientific article published in 2004

Adsorption of acetic and trifluoroacetic acid on the TiO2(110) surface

scientific article published in November 2004

An issue dedicated to the Ψk Volker Heine Young Investigator Award*

B and N ion implantation into carbon nanotubes: Insight from atomistic simulations

scientific article published on 23 May 2005

Berseneva, Krasheninnikov, and Nieminen Reply:

Bound and free self-interstitial defects in graphite and bilayer graphene: A computational study

article by Andris Gulans et al published 15 July 2011 in Physical Review B

Challenges in truncating the hierarchy of time-dependent reduced density matrices equations

scholarly article in Physical Review B, vol. 85 no. 23, June 2012

Characterization of the unoccupied and partially occupied states of TTF-TCNQ by XANES and first-principles calculations

scholarly article in Physical Review B, vol. 68 no. 19, November 2003

Charged Point Defects in the Flatland: Accurate Formation Energy Calculations in Two-Dimensional Materials

Computational model for noncontact atomic force microscopy: energy dissipation of cantilever

scientific article published on 15 July 2016

Computational study of GaAs1−xNx and GaN1−yAsy alloys and arsenic impurities in GaN

Convergence of supercell calculations for point defects in semiconductors: Vacancy in silicon

scientific article

Coronene Encapsulation in Single-Walled Carbon Nanotubes: Stacked Columns, Peapods, and Nanoribbons

scientific article published on 11 April 2014

Creation of paired electron states in the gap of semiconducting carbon nanotubes by correlated hydrogen adsorption

Density-functional molecular dynamics studies of biologically relevant iron and cobalt complexes with macrocyclic ligands

scholarly article by Ivan Degtyarenko et al published July 2008 in Coordination Chemistry Reviews

Density-wave instability inα−(BEDT-TTF)2KHg(SCN)4studied by x-ray diffuse scattering and by first-principles calculations

scientific article published on 18 October 2010

Direct Antisite Formation in Electron Irradiation of GaAs

scientific article

Dynamical coupling of plasmons and molecular excitations by hybrid quantum/classical calculations: time-domain approach

scientific article published on 01 August 2014

Effect of edge plasmons on the optical properties of MoS2 monolayer flakes

scientific article published on 5 October 2017

Electron-positron Car-Parrinello methods: Self-consistent treatment of charge densities and ionic relaxations

scientific article published in October 1995

Electronic energy band structure of the double perovskite Ba2MnWO6

scientific article published on 09 May 2008

Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method

scientific article published on 10 June 2010

Electronic structure of boron nitride sheets doped with carbon from first-principles calculations

scholarly article in Physical Review B, vol. 87 no. 3, January 2013

Electronic transport properties of fullerene functionalized carbon nanotubes: Ab initio and tight-binding calculations

scientific article

Energy deposition of keV electrons in light elements

Erratum: Charged Point Defects in the Flatland: Accurate Formation Energy Calculations in Two-Dimensional Materials [Phys. Rev. X 4 , 031044 (2014)]

scholarly article published in Physical Review X

Fast convergence to equilibrium for long-chain polymer melts using a MD/continuum hybrid method

scientific article published on 01 October 2012

First-principles study of layered antiferromagnetic CuCrX2(X = S, Se and Te) ⬇️

scientific article published on February 8, 2013

Formation of Ruthenium Cluster on Nanocrystalline Tungsten Trioxide

scholarly article by Y. Fujioka et al published 9 April 2013 in Journal of Physical Chemistry C

Formation, migration, and clustering of point defects in CuInSe2 from first principles.

scientific article published on 8 August 2014

High-pressure neutron study of the morphotropic lead-zirconate-titanate: Phase transitions in a two-phase system

article published in 2012

Hydrogen atoms band together

scientific article published in Nature

Intrinsic n-type behavior in transparent conducting oxides: a comparative hybrid-functional study of In2O3, SnO2, and ZnO

scientific article published on 11 December 2009

Kohn-Sham decomposition in real-time time-dependent density-functional theory: An efficient tool for analyzing plasmonic excitations.

scientific article published on September 2017

Magnetic impurity affected by spin-orbit coupling: Behavior near a topological phase transition

scientific article published on 3 July 2013

Measuring site-specific cluster-surface bond formation

scientific article published in December 2005

Mechanisms of Postsynthesis Doping of Boron Nitride Nanostructures with Carbon from First-Principles Simulations

scientific article published on 11 July 2011

Migration and Localization of Metal Atoms on Strained Graphene

scientific article published on 5 November 2010

Molecular dynamics investigation of the premelting effects of Lennard-Jones (111) surfaces

article

Molecular dynamics simulation of the damage production in Al (110) surface with slow argon ions

article

Monte Carlo calculations of keV electron and positron slowing down in solids. II

Monte-Carlo calculations of keV electron and positron slowing down in solids

Nanoindentation of silicon surfaces: Molecular-dynamics simulations of atomic force microscopy

article

Nanoparticles of TiO 2 and VO 2 in dielectric media: Conditions for low optical scattering, and comparison between effective medium and four-flux theories

Nanoplasmonics simulations at the basis set limit through completeness-optimized, local numerical basis sets ⬇️

scientific article published on 01 March 2015

Neural-network analysis of the vibrational spectra of N-acetyl L-alanyl N'-methyl amide conformational states

scientific article

Nitrogen interstitial defects in GaAs

Nonlinear stopping power of an electron gas for slow ions

scientific article published on 01 February 1986

Photoabsorption in sodium clusters on the basis of time-dependent density-functional theory

scientific article published on 01 January 2008

Photoabsorption spectra of boron nitride fullerenelike structures

scientific article published in June 2007

Photoabsorption spectra of small fullerenes and Si-heterofullerenes

scientific article

Pressure-induced phase transitions in PbTiO3: a query for the polarization rotation theory

scientific article published on 5 April 2007

Quantized Evolution of the Plasmonic Response in a Stretched Nanorod ⬇️

scientific article published on 01 December 2015

Ranges and stopping power of KeV electrons in the solid hydrogens

article published in 1988

Relation between macroscopic and microscopic activation energies in nonequilibrium surface processing ⬇️

scientific article published on September 22, 2003

Role of hydration in determining the structure and vibrational spectra of L-alanine and N-acetyl L-alanine N′-methylamide in aqueous solution: a combined theoretical and experimental approach

scientific article (publication date: 9 August 2007)

Strain relaxation in LT-GaAs by the agglomeration of As antisites

Structural Properties of Pure and Nickel-Modified Nanocrystalline Tungsten Trioxide

scholarly article by Y. Fujioka et al published 2 August 2012 in Journal of Physical Chemistry C

Structure and dynamics of dioxygen bound to cobalt and iron heme

scientific article published on 2 June 2006

Substitutional carbon doping of free-standing and Ru-supported BN sheets: a first-principles study

scientific article published on 18 July 2017

Synthesis of Graphene Nanoribbons Encapsulated in Single-Walled Carbon Nanotubes

scientific article published on 02 September 2011

Topical levofloxacin, nepafenac and prednisolone acetate medication after cataract surgery in the biggest tertiary eye hospital in Finland during 2015-2018

scientific article published on 27 March 2019

Toward Stronger Al–BN Nanotube Composite Materials: Insights into Bonding at the Al/BN Interface from First-Principles Calculations

Use of vibrational spectroscopy to study protein and DNA structure, hydration, and binding of biomolecules: A combined theoretical and experimental approach

article

Vacancy-type defect distributions near argon sputtered Al(100) surface studied by variable-energy positrons and molecular dynamics simulations

l-Alanine in a Droplet of Water: A Density-Functional Molecular Dynamics Study

scientific article published in April 2007

List of works by Risto M. Nieminen

A configurational and conformational study of aframodial and its diasteriomers via experimental and theoretical VA and VCD spectroscopies

A first-principles study on magnetic coupling between carbon adatoms on graphene

Adsorption and migration of carbon adatoms on zigzag carbon nanotubes

Adsorption of acetic and trifluoroacetic acid on the TiO2(110) surface

An issue dedicated to the Ψk Volker Heine Young Investigator Award*

B and N ion implantation into carbon nanotubes: Insight from atomistic simulations

Berseneva, Krasheninnikov, and Nieminen Reply:

Bound and free self-interstitial defects in graphite and bilayer graphene: A computational study

Challenges in truncating the hierarchy of time-dependent reduced density matrices equations

Characterization of the unoccupied and partially occupied states of TTF-TCNQ by XANES and first-principles calculations

Charged Point Defects in the Flatland: Accurate Formation Energy Calculations in Two-Dimensional Materials

Computational model for noncontact atomic force microscopy: energy dissipation of cantilever

Computational study of GaAs1−xNx and GaN1−yAsy alloys and arsenic impurities in GaN

Convergence of supercell calculations for point defects in semiconductors: Vacancy in silicon

Coronene Encapsulation in Single-Walled Carbon Nanotubes: Stacked Columns, Peapods, and Nanoribbons

Creation of paired electron states in the gap of semiconducting carbon nanotubes by correlated hydrogen adsorption

Density-functional molecular dynamics studies of biologically relevant iron and cobalt complexes with macrocyclic ligands

Density-wave instability inα−(BEDT-TTF)2KHg(SCN)4studied by x-ray diffuse scattering and by first-principles calculations

Direct Antisite Formation in Electron Irradiation of GaAs

Dynamical coupling of plasmons and molecular excitations by hybrid quantum/classical calculations: time-domain approach

Effect of edge plasmons on the optical properties of MoS2 monolayer flakes

Electron-positron Car-Parrinello methods: Self-consistent treatment of charge densities and ionic relaxations

Electronic energy band structure of the double perovskite Ba2MnWO6

Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method

Electronic structure of boron nitride sheets doped with carbon from first-principles calculations

Electronic transport properties of fullerene functionalized carbon nanotubes: Ab initio and tight-binding calculations

Energy deposition of keV electrons in light elements

Erratum: Charged Point Defects in the Flatland: Accurate Formation Energy Calculations in Two-Dimensional Materials [Phys. Rev. X 4 , 031044 (2014)]

Fast convergence to equilibrium for long-chain polymer melts using a MD/continuum hybrid method

First-principles study of layered antiferromagnetic CuCrX2(X = S, Se and Te) ⬇️

Formation of Ruthenium Cluster on Nanocrystalline Tungsten Trioxide

Formation, migration, and clustering of point defects in CuInSe2 from first principles.

High-pressure neutron study of the morphotropic lead-zirconate-titanate: Phase transitions in a two-phase system

Hydrogen atoms band together

Intrinsic n-type behavior in transparent conducting oxides: a comparative hybrid-functional study of In2O3, SnO2, and ZnO

Kohn-Sham decomposition in real-time time-dependent density-functional theory: An efficient tool for analyzing plasmonic excitations.

Magnetic impurity affected by spin-orbit coupling: Behavior near a topological phase transition

Measuring site-specific cluster-surface bond formation

Mechanisms of Postsynthesis Doping of Boron Nitride Nanostructures with Carbon from First-Principles Simulations

Migration and Localization of Metal Atoms on Strained Graphene

Molecular dynamics investigation of the premelting effects of Lennard-Jones (111) surfaces

Molecular dynamics simulation of the damage production in Al (110) surface with slow argon ions

Monte Carlo calculations of keV electron and positron slowing down in solids. II

Monte-Carlo calculations of keV electron and positron slowing down in solids

Nanoindentation of silicon surfaces: Molecular-dynamics simulations of atomic force microscopy

Nanoparticles of TiO 2 and VO 2 in dielectric media: Conditions for low optical scattering, and comparison between effective medium and four-flux theories

Nanoplasmonics simulations at the basis set limit through completeness-optimized, local numerical basis sets ⬇️

Neural-network analysis of the vibrational spectra of N-acetyl L-alanyl N'-methyl amide conformational states

Nitrogen interstitial defects in GaAs

Nonlinear stopping power of an electron gas for slow ions

Photoabsorption in sodium clusters on the basis of time-dependent density-functional theory

Photoabsorption spectra of boron nitride fullerenelike structures

Photoabsorption spectra of small fullerenes and Si-heterofullerenes

Pressure-induced phase transitions in PbTiO3: a query for the polarization rotation theory

Quantized Evolution of the Plasmonic Response in a Stretched Nanorod ⬇️

Ranges and stopping power of KeV electrons in the solid hydrogens

Relation between macroscopic and microscopic activation energies in nonequilibrium surface processing ⬇️

Role of hydration in determining the structure and vibrational spectra of L-alanine and N-acetyl L-alanine N′-methylamide in aqueous solution: a combined theoretical and experimental approach

Strain relaxation in LT-GaAs by the agglomeration of As antisites

Structural Properties of Pure and Nickel-Modified Nanocrystalline Tungsten Trioxide

Structure and dynamics of dioxygen bound to cobalt and iron heme

Substitutional carbon doping of free-standing and Ru-supported BN sheets: a first-principles study

Synthesis of Graphene Nanoribbons Encapsulated in Single-Walled Carbon Nanotubes

Topical levofloxacin, nepafenac and prednisolone acetate medication after cataract surgery in the biggest tertiary eye hospital in Finland during 2015-2018

Toward Stronger Al–BN Nanotube Composite Materials: Insights into Bonding at the Al/BN Interface from First-Principles Calculations

Use of vibrational spectroscopy to study protein and DNA structure, hydration, and binding of biomolecules: A combined theoretical and experimental approach

Vacancy-type defect distributions near argon sputtered Al(100) surface studied by variable-energy positrons and molecular dynamics simulations

l-Alanine in a Droplet of Water: A Density-Functional Molecular Dynamics Study