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List of works by Jakob Schiøtz

A Deep Learning Approach to Identify Local Structures in Atomic-Resolution Transmission Electron Microscopy Images

article

Ab Initio van der Waals Interactions in Simulations of Water Alter Structure from Mainly Tetrahedral to High-Density-Like

scientific article published on 01 August 2011

Atomic-Scale Structure of Dislocations Revealed by Scanning Tunneling Microscopy and Molecular Dynamics

scientific article published in Physical Review Letters

Atomistic simulation study of the shear-band deformation mechanism in Mg-Cu metallic glasses

scholarly article in Physical Review B, vol. 73 no. 6, February 2006

Atomistic simulations of Mg–Cu metallic glasses: mechanical properties

article published in 2004

Avalanche size scaling in sheared three-dimensional amorphous solid

scientific article published on 28 February 2007

Computational materials science: Nanoscale plasticity

scientific article published on 01 September 2002

Computer simulations of nanoindentation in Mg–Cu and Cu–Zr metallic glasses

Correlation between diffusion barriers and alloying energy in binary alloys

scientific article published on 01 January 2016

Electrochemical control of quantum interference in anthraquinone-based molecular switches.

scientific article published in June 2010

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

scientific article published on 10 June 2010

H2/D2 exchange reaction on mono-disperse Pt clusters: enhanced activity from minute O2 concentrations

Hot-electron-assisted femtochemistry at surfaces: A time-dependent density functional theory approach

scholarly article in Physical Review B, vol. 79 no. 19, May 2009

Long time scale simulation of a grain boundary in copper

Longitudinal domain wall formation in elongated assemblies of ferromagnetic nanoparticles

scientific article

Matching conditions in the quasicontinuum method: Removal of the error introduced at the interface between the coarse-grained and fully atomistic region

scholarly article in Physical Review B, vol. 69 no. 21, June 2004

Memory effects in nonadiabatic molecular dynamics at metal surfaces ⬇️

scientific article published on October 7, 2010

Nanocrystalline metals: Roughness in flatland

scientific article published in October 2017

New Platinum Alloy Catalysts for Oxygen Electroreduction Based on Alkaline Earth Metals

Olesen et al. reply

scientific article published on 01 March 1995

Origin of power laws for reactions at metal surfaces mediated by hot electrons

scientific article published on 30 November 2009

Pt x Gd alloy formation on Pt(111): Preparation and structural characterization

Quantized conductance in atom-sized wires between two metals

scientific article published on 01 September 1995

Quantum corrected Langevin dynamics for adsorbates on metal surfaces interacting with hot electrons

scientific article published in July 2010

Reversible and concerted atom diffusion on supported gold nanoparticles

Rich Ground-State Chemical Ordering in Nanoparticles: Exact Solution of a Model for Ag-Au Clusters

scientific article published on 01 June 2018

Simulation of Cu-Mg metallic glass: Thermodynamics and structure

scholarly article in Physical Review B, vol. 69 no. 14, April 2004

Simulations of boundary migration during recrystallization using molecular dynamics

article

Simulations of intergranular fracture in nanocrystalline molybdenum

scholarly article by Søren L. Frederiksen et al published October 2004 in Acta Materialia

Site specificity in femtosecond laser desorption of neutral H atoms from graphite(0001)

scientific article published on 25 June 2010

Structure and reactivity of ruthenium nanoparticles

scholarly article in Physical Review B, vol. 77 no. 3, January 2008

The atomic simulation environment-a Python library for working with atoms.

scientific article

Transformations of supported gold nanoparticles observed by in situ electron microscopy

scientific article published on 01 June 2019

Tuning the activity of Pt alloy electrocatalysts by means of the lanthanide contraction

scientific article

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