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List of works by Jaakko Akola

A density functional investigation of thiolate-protected bimetal PdAu24(SR)18z clusters: doping the superatom complex

scientific article published on 11 June 2009

A unified view of ligand-protected gold clusters as superatom complexes.

scholarly article

Aluminum cluster anions: Photoelectron spectroscopy and ab initio simulations

scholarly article in Physical Review B, vol. 62 no. 19, November 2000

Amorphous Ge₁₅Te₈₅: density functional, high-energy x-ray and neutron diffraction study

scientific article published on 08 December 2011

Atomic and electronic structures of an extremely fragile liquid

scientific article

Atomistic Simulations of Functional Au144(SR)60 Gold Nanoparticles in Aqueous Environment

scientific article published on 18 April 2012

Atomistic simulations of anionic Au144(SR)60 nanoparticles interacting with asymmetric model lipid membranes

scientific article published in November 2014

Binary alloys of Ge and Te: order, voids, and the eutectic composition

scientific article published on 23 May 2008

Bright beaches of nanoscale potassium islands on graphite in STM imaging

scientific article published on 09 March 2009

CLEASE: a versatile and user-friendly implementation of cluster expansion method

scientific article published on 23 April 2019

CO oxidation catalyzed by neutral and anionic Cu20 clusters: relationship between charge and activity

scientific article published on 01 March 2015

Cationic Au Nanoparticle Binding with Plasma Membrane-like Lipid Bilayers: Potential Mechanism for Spontaneous Permeation to Cells Revealed by Atomistic Simulations

scientific article published on 12 May 2014

Coexisting Honeycomb and Kagome Characteristics in the Electronic Band Structure of Molecular Graphene.

scientific article

Collective excitations and viscosity in liquid Bi.

scientific article published on November 2016

Comment on "Formation of large voids in the amorphous phase-change memory Ge2Sb2Te5 alloy".

scientific article published on 6 January 2010

Comparison of optical response from DFT random phase approximation and a low-energy effective model: Strained phosphorene

scientific article published in 2021

Corrigendum: The structure of MgO–SiO2glasses at elevated pressure

scholarly article published in Journal of Physics: Condensed Matter

DFT simulations and microkinetic modelling of 1-pentyne hydrogenation on Cu20 model catalysts

scientific article published on 20 February 2016

Density functional calculations of ATP systems. 1. Crystalline ATP hydrates and related molecules

scientific article published on 01 April 2006

Density functional calculations of ATP systems. 2. ATP hydrolysis at the active site of actin.

scientific article

Density functional simulations of structure and polymorphism in Ga/Sb films.

scientific article published on 20 February 2013

Density functional study of Cu(2+)-phenylalanine complex under micro-solvation environment

scientific article

Density functional study of alkali-metal atoms and monolayers on graphite (0001)

Density functional study of amorphous, liquid and crystalline Ge2Sb2Te5: homopolar bonds and/or AB alternation? ⬇️

scientific article published on September 30, 2008

Density functional study of gold atoms and clusters on a graphite (0001) surface with defects

scientific article published on 6 October 2006

Density functional study of structure and dynamics in liquid antimony and Sbn clusters.

scientific article published in May 2017

Edge-dependent selection rules in magic triangular graphene flakes

Electronic properties of single-walled carbon nanotubes inside cyclic supermolecules

scientific article published on 01 March 2006

Electronic shell and supershell structure in graphene flakes

scholarly article in European Physical Journal D, vol. 52 no. 1-3, January 2009

Electronic structure of triangular, hexagonal and round graphene flakes near the Fermi level

First-principles simulations of hydrogen peroxide formation catalyzed by small neutral gold clusters

scientific article published on 27 May 2009

From local structure to nanosecond recrystallization dynamics in AgInSbTe phase-change materials

scientific article published on 09 January 2011

Highly ductile amorphous oxide at room temperature and high strain rate

scientific article published on 01 November 2019

How do Water Solvent and Glutathione Ligands Affect the Structure and Electronic Properties of Au25(SR)18(-)?

scientific article published on 15 September 2015

Ionization potential of Al6 and Al7 as a function of temperature

scientific article published in December 1999

Ionization potential of aluminum clusters

scientific article published on 15 August 1998

Molecular-Scale Ligand Effects in Small Gold-Thiolate Nanoclusters

scientific article published on 30 October 2018

Network topology for the formation of solvated electrons in binary CaO-Al2O3 composition glasses

scientific article published on 30 May 2013

On the structure of thiolate-protected Au25

scientific article published on 06 March 2008

One year of Advances in Physics: X – the wonderful faculty of memory

Photoelectron spectra of aluminum cluster anions: Temperature effects and ab initio simulations

scientific article published on 15 October 1999

Quantum size effects in ambient CO oxidation catalysed by ligand-protected gold clusters

scientific article published on 24 March 2010

Real-space Wigner-Seitz cells imaging of potassium on graphite via elastic atomic manipulation.

scientific article published on 5 February 2015

Relationship between topological order and glass forming ability in densely packed enstatite and forsterite composition glasses

scientific article

Role of the Central Gold Atom in Ligand-Protected Biicosahedral Au24 and Au25 Clusters

scientific article

Silver Sulfide Nanoclusters and the Superatom Model

Simple metal under tensile stress: layer-dependent herringbone reconstruction of thin potassium films on graphite.

scientific article published on 11 May 2015

Sodium atoms and clusters on graphite by density functional theory

Steered molecular dynamics simulations of ligand–receptor interaction in lipocalins ⬇️

scientific article published on November 13, 2010

Structure and Bonding in the Ubiquitous Icosahedral Metallic Gold Cluster Au144(SR)60

Structure and dynamics in liquid bismuth and Bi(n) clusters: a density functional study

scientific article published on 01 November 2014

Structure of amorphous Ag/Ge/S alloys: experimentally constrained density functional study.

scientific article

The Role of Temperature and Lipid Charge on Intake/Uptake of Cationic Gold Nanoparticles into Lipid Bilayers

scientific article published on 23 April 2019

The electrooxidation-induced structural changes of gold di-superatomic molecules: Au23vs. Au25.

scientific article published on 25 January 2016

The molecular mechanism of the ligand exchange reaction of an antibody against a glutathione-coated gold cluster

scientific article published on 17 February 2017

The structure of MgO-SiO2 glasses at elevated pressure

scientific article

Thermal expansion in small metal clusters and its impact on the electric polarizability

scientific article published on 01 April 2000

Thiolate-Protected Au25 Superatoms as Building Blocks: Dimers and Crystals

scientific article

Varying oxygen coverage on Cu55 and its effect on CO oxidation

scientific article published on 20 May 2019

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