List of works - Bjørk Hammer

2D-3D transition for cationic and anionic gold clusters: a kinetic energy density functional study

scientific article published on 01 August 2009

A density functional theory study of atomic steps on stoichiometric rutile TiO2(110)

scientific article published on 01 December 2013

A genetic algorithm for first principles global structure optimization of supported nano structures

scientific article published in July 2014

A surface coordination network based on copper adatom trimers.

scientific article published on 22 September 2014

Accelerating atomic structure search with cluster regularization

scientific article published on 01 June 2018

Activation in prochiral reaction assemblies on Pt(111)

scientific article published on 02 April 2008

Adsorbate-induced alloy phase separation: a direct view by high-pressure scanning tunneling microscopy

scientific article published on 12 September 2005

Adsorption and dehydrogenation of tetrahydroxybenzene on Cu(111)

scientific article published on 01 October 2013

Adsorption of O2 and oxidation of CO at Au nanoparticles supported by TiO2(110)

scientific article published on 01 April 2004

Adsorption properties versus oxidation states of rutile TiO2(110) ⬇️

scientific article published on May 21, 2011

Adsorption, diffusion, and dissociation of molecular oxygen at defected TiO2(110): a density functional theory study

scientific article published on 01 January 2004

Adsorption, mobility, and dimerization of benzaldehyde on Pt(111).

scientific article

An automated nudged elastic band method.

scientific article published in September 2016

An extended chiral surface coordination network based on Ag-clusters

scientific article published on 01 October 2018

Atomic Energies from a Convolutional Neural Network

scientific article published on 13 June 2018

Atomistic Global Optimization X: A Python package for optimization of atomistic structures

scientific article published on 28 June 2022

Bandgap opening in graphene induced by patterned hydrogen adsorption

scientific article published on 14 March 2010

CO Desorption Rate Dependence on CO Partial Pressure over Platinum Fuel Cell Catalysts

article

Chemically-resolved determination of hydrogenated graphene-substrate interaction

scientific article published on 01 June 2019

Chiral recognition in dimerization of adsorbed cysteine observed by scanning tunnelling microscopy

scientific article published in February 2002

Chiral recognition of organic molecules by atomic kinks on surfaces

scientific article published on 09 February 2006

Chiral switching by spontaneous conformational change in adsorbed organic molecules

scientific article published on 15 January 2006

Clustering of Chemisorbed H(D) Atoms on the Graphite (0001) Surface due to Preferential Sticking

scientific article published on 31 October 2006

Combining Evolutionary Algorithms with Clustering toward Rational Global Structure Optimization at the Atomic Scale.

scientific article

Comment on "Oxygen vacancy origin of the surface band-gap state of TiO2(110)"

scientific article published on 25 June 2010

Controlling hydrogenation of graphene on Ir(111)

scientific article published on 23 April 2013

Covalent interlinking of an aldehyde and an amine on a Au(111) surface in ultrahigh vacuum

scientific article published on 01 January 2007

Crystalline and electronic structure of single-layer TaS 2

scientific article published on 3 August 2016

DFT+U study of defects in bulk rutile TiO(2)

scientific article published on 01 October 2010

Density functional theory study of enantiospecific adsorption at chiral surfaces.

scientific article published in December 2002

Density functional theory study of water dissociation in a double water bilayer with or without coadsorption of CO on Pt(111)

scientific article published on 01 May 2006

Design of a Surface Alloy Catalyst for Steam Reforming

scientific article published in Science

Direct evidence for ethanol dissociation on rutile TiO2(110)

scientific article published on 19 September 2011

Direct observation of molecular preorganization for chirality transfer on a catalyst surface.

scientific article

Direct pathway for sticking/desorption of H2 on Si(100)

scientific article published on 01 May 1995

Dissociation path for H2 on Al(110)

scientific article published on 01 September 1992

Effect of subsurface Ti-interstitials on the bonding of small gold clusters on rutile TiO(2)(110)

scientific article published on 01 January 2009

Effects of particle size and edge structure on the electronic structure, spectroscopic features, and chemical properties of Au(111)-supported MoS2 nanoparticles

scientific article published on 14 April 2016

Efficient Global Structure Optimization with a Machine-Learned Surrogate Model

scientific article published on 01 February 2020

Electronic factors determining the reactivity of metal surfaces

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

scientific article published on 10 June 2010

Electronic structure, total energies, and STM images of clean and oxygen-covered Al(111)

scientific article published on 01 November 1995

Enhanced bonding of gold nanoparticles on oxidized TiO2(110)

scientific article published on 01 March 2007

Erratum: "An automated nudged elastic band method" [J. Chem. Phys. 145, 094107 (2016)].

scientific article published in January 2018

Erratum: Hydrogen bond rotations as a uniform structural tool for analyzing protein architecture

scientific article published in Nature Communications

Ethanol Diffusion on Rutile TiO2(110) Mediated by H Adatoms

scientific article published on 11 January 2012

Exciting H2 Molecules for Graphene Functionalization

scientific article published on 18 December 2017

Exploration versus Exploitation in Global Atomistic Structure Optimization

scientific article published on 9 January 2018

Extended atomic hydrogen dimer configurations on the graphite(0001) surface

scientific article published on 01 August 2009

Extended one-dimensional supramolecular assembly on a stepped surface

scientific article published on 30 January 2008

Formation and diffusion of water dimers on rutile TiO2(110)

scientific article published on 01 June 2009

Formation and splitting of paired hydroxyl groups on reduced TiO2(110)

scientific article published on 14 February 2006

Gaussian representation for image recognition and reinforcement learning of atomistic structure

scientific article published on 01 July 2020

Graphene coatings: probing the limits of the one atom thick protection layer

scientific article published on 07 November 2012

Growth and electronic structure of epitaxial single-layer WS 2 on Au(111)

scientific article published on 28 December 2015

Growth of unidirectional molecular rows of cysteine on Au(110)-(1 x 2) driven by adsorbate-induced surface rearrangements

scientific article published on 16 August 2004

Guanine quartet networks stabilized by cooperative hydrogen bonds

scientific article

Guanine- and potassium-based two-dimensional coordination network self-assembled on Au(111).

scientific article published on 26 October 2010

High-dimensional quantum dynamics of adsorption and desorption of H2 at Cu(111)

scientific article published on 01 December 1994

Hydrogen bond rotations as a uniform structural tool for analyzing protein architecture.

scientific article

Imaging of the hydrogen subsurface site in rutile TiO2

scientific article published on 01 April 2009

In Situ Detection of Active Edge Sites in Single-Layer MoS2 Catalysts

Influence of CH···N Interaction in the Self-Assembly of an Oligo(isoquinolyne-ethynylyne) Molecule with Distinct Conformational States.

scientific article

Interfacial oxygen under TiO2 supported Au clusters revealed by a genetic algorithm search

scientific article published in November 2013

Local Chemical Reactivity of a Metal Alloy Surface

scientific article published on 01 April 1995

Machine learning enhanced global optimization by clustering local environments to enable bundled atomic energies

scientific article published on 01 October 2018

Metastable Structures and Recombination Pathways for Atomic Hydrogen on the Graphite (0001) Surface

scientific article published on 20 April 2006

Monitoring interconversion between stereochemical states in single chirality-transfer complexes on a platinum surface

scientific article published on 3 April 2017

Multidimensional potential energy surface for H2 dissociation over Cu(111)

scientific article published on 01 September 1994

NH3 adsorption on anatase-TiO2(101)

scientific article published on 01 March 2018

Nucleation and growth of Pt nanoparticles on reduced and oxidized rutile TiO₂ (110).

scientific article published on December 2014

On-the-Fly Machine Learning of Atomic Potential in Density Functional Theory Structure Optimization.

scientific article published in January 2018

One-dimensional PtO2 at Pt steps: formation and reaction with CO

scientific article published on 15 December 2005

Oxidation of Pt(110)

scientific article published on 29 September 2004

Oxygen adsorption at anionic free and supported Au clusters

scientific article published on 01 October 2005

Packing defects into ordered structures: strands on TiO2

scientific article published on 07 June 2012

Probing enantioselectivity with x-ray photoelectron spectroscopy and density functional theory

scientific article published on 27 March 2007

Pyrene: hydrogenation, hydrogen evolution, and π-band model

scientific article published on 01 April 2011

Pyridine adsorption and diffusion on Pt(111) investigated with density functional theory.

scientific article published in April 2016

Reduced step edges on rutile TiO2(110) as competing defects to oxygen vacancies on the terraces and reactive sites for ethanol dissociation

scientific article published on 09 October 2012

Role of Au(+) in supporting and activating Au(7) on TiO(2)(110)

scientific article published on 29 September 2006

Role of nonlocal exchange correlation in activated adsorption

scientific article published on 01 June 1993

Role of steps in the dissociative adsorption of water on rutile TiO2(110)

scientific article published on 02 April 2013

Role of surface elastic relaxations in an O-induced nanopattern on Pt(110)-(1 x 2)

scientific article published on 14 March 2007

Rotation and diffusion of naphthalene on Pt(111)

scientific article published on 01 March 2018

Scanning Tunneling Microscopy Measurements of the Full Cycle of a Heterogeneous Asymmetric Hydrogenation Reaction on Chirally Modified Pt(111)

scientific article published on 16 December 2011

Selection of conformational states in self-assembled surface structures formed from an oligo(naphthylene–ethynylene) 3-bit binary switch

scientific article published on 01 March 2015

Selection of conformational states in surface self-assembly for a molecule with eight possible pairs of surface enantiomers

scientific article published on 17 November 2016

Selective propene epoxidation on immobilized au(6-10) clusters: the effect of hydrogen and water on activity and selectivity

scientific article published in January 2009

Self-consistent meta-generalized gradient approximation study of adsorption of aromatic molecules on noble metal surfaces

scientific article published on 01 August 2011

Single-chiral-catalytic-surface-sites: STM and DFT study of stereodirecting complexes formed between (R)-1-(1-naphthyl)ethylamine and ketopantolactone on Pt(111)

Single-layer MoS 2 on Au(111): Band gap renormalization and substrate interaction

scientific article published on 18 April 2016

Stereodirection of an α-ketoester at sub-molecular sites on chirally modified Pt(111): heterogeneous asymmetric catalysis

scientific article published on 27 June 2013

Structure and Dynamics of Individual Diastereomeric Complexes on Platinum: Surface Studies Related to Heterogeneous Enantioselective Catalysis.

scientific article published on 18 April 2017

Structure and activity of oxidized Pt(110) and alpha-PtO2.

scientific article published on 17 February 2006

Structure and catalytic reactivity of Rh oxides

Structure and reactivity of surface oxides on Pt(110) during catalytic CO oxidation

scientific article published on 16 December 2005

Structure and role of metal clusters in a metal-organic coordination network determined by density functional theory

Structure determination of chemisorbed chirality transfer complexes: Accelerated STM analysis and exchange-correlation functional sensitivity

scientific article

Structure of the SnO_{2}(110)-(4×1) Surface.

scientific article published on 31 August 2017

Structure prediction of surface reconstructions by deep reinforcement learning

scientific article published on 20 May 2020

Study of Alkylthiolate Self-assembled Monolayers on Au(111) Using a Semilocal meta-GGA Density Functional

Substrate-induced semiconductor-to-metal transition in monolayer WS 2

scientific article published on 26 December 2017

Supramolecular Corrals on Surfaces Resulting from Aromatic Interactions of Nonplanar Triazoles.

scientific article published in August 2017

Symmetry-Driven Band Gap Engineering in Hydrogen Functionalized Graphene

scientific article

Systematic study of Au6 to Au12 gold clusters on MgO(100) F centers using density-functional theory

scientific article published on 19 March 2012

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

scientific article

The electronic structure effect in heterogeneous catalysis

The influence of coronene super-hydrogenation on the coronene-graphite interaction.

scientific article published in November 2016

The mechanism of Mg2+ conduction in ammine magnesium borohydride promoted by a neutral molecule

scientific article published on 31 March 2020

The role of interstitial sites in the Ti3d defect state in the band gap of titania

scientific article

Thermodynamic aspects of dehydrogenation reactions on noble metal surfaces

scientific article published on 01 November 2014

Tight-Binding Approximation-Enhanced Global Optimization.

scientific article published on 28 March 2018

Tuning Aryl−CH···O Intermolecular Interactions on Pt(111)

scientific article

Two-step reaction on a strained, nanoscale segmented surface

scientific article published on 16 September 2004

Universality in Heterogeneous Catalysis

Visualizing hydrogen-induced reshaping and edge activation in MoS2 and Co-promoted MoS2 catalyst clusters.

scientific article

Walking-like diffusion of two-footed asymmetric aromatic adsorbates on Pt(111)

scientific article

Water Dissociation and Hydroxyl Ordering on Anatase TiO_{2}(001)-(1×4)

scientific article published on 01 November 2018

List of works by Bjørk Hammer

2D-3D transition for cationic and anionic gold clusters: a kinetic energy density functional study

A density functional theory study of atomic steps on stoichiometric rutile TiO2(110)

A genetic algorithm for first principles global structure optimization of supported nano structures

A surface coordination network based on copper adatom trimers.

Accelerating atomic structure search with cluster regularization

Activation in prochiral reaction assemblies on Pt(111)

Adsorbate-induced alloy phase separation: a direct view by high-pressure scanning tunneling microscopy

Adsorption and dehydrogenation of tetrahydroxybenzene on Cu(111)

Adsorption of O2 and oxidation of CO at Au nanoparticles supported by TiO2(110)

Adsorption properties versus oxidation states of rutile TiO2(110) ⬇️

Adsorption, diffusion, and dissociation of molecular oxygen at defected TiO2(110): a density functional theory study

Adsorption, mobility, and dimerization of benzaldehyde on Pt(111).

An automated nudged elastic band method.

An extended chiral surface coordination network based on Ag-clusters

Atomic Energies from a Convolutional Neural Network

Atomistic Global Optimization X: A Python package for optimization of atomistic structures

Bandgap opening in graphene induced by patterned hydrogen adsorption

CO Desorption Rate Dependence on CO Partial Pressure over Platinum Fuel Cell Catalysts

Chemically-resolved determination of hydrogenated graphene-substrate interaction

Chiral recognition in dimerization of adsorbed cysteine observed by scanning tunnelling microscopy

Chiral recognition of organic molecules by atomic kinks on surfaces

Chiral switching by spontaneous conformational change in adsorbed organic molecules

Clustering of Chemisorbed H(D) Atoms on the Graphite (0001) Surface due to Preferential Sticking

Combining Evolutionary Algorithms with Clustering toward Rational Global Structure Optimization at the Atomic Scale.

Comment on "Oxygen vacancy origin of the surface band-gap state of TiO2(110)"

Controlling hydrogenation of graphene on Ir(111)

Covalent interlinking of an aldehyde and an amine on a Au(111) surface in ultrahigh vacuum

Crystalline and electronic structure of single-layer TaS 2

DFT+U study of defects in bulk rutile TiO(2)

Density functional theory study of enantiospecific adsorption at chiral surfaces.

Density functional theory study of water dissociation in a double water bilayer with or without coadsorption of CO on Pt(111)

Design of a Surface Alloy Catalyst for Steam Reforming

Direct evidence for ethanol dissociation on rutile TiO2(110)

Direct observation of molecular preorganization for chirality transfer on a catalyst surface.

Direct pathway for sticking/desorption of H2 on Si(100)

Dissociation path for H2 on Al(110)

Effect of subsurface Ti-interstitials on the bonding of small gold clusters on rutile TiO(2)(110)

Effects of particle size and edge structure on the electronic structure, spectroscopic features, and chemical properties of Au(111)-supported MoS2 nanoparticles

Efficient Global Structure Optimization with a Machine-Learned Surrogate Model

Electronic factors determining the reactivity of metal surfaces

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

Electronic structure, total energies, and STM images of clean and oxygen-covered Al(111)

Enhanced bonding of gold nanoparticles on oxidized TiO2(110)

Erratum: "An automated nudged elastic band method" [J. Chem. Phys. 145, 094107 (2016)].

Erratum: Hydrogen bond rotations as a uniform structural tool for analyzing protein architecture

Ethanol Diffusion on Rutile TiO2(110) Mediated by H Adatoms

Exciting H2 Molecules for Graphene Functionalization

Exploration versus Exploitation in Global Atomistic Structure Optimization

Extended atomic hydrogen dimer configurations on the graphite(0001) surface

Extended one-dimensional supramolecular assembly on a stepped surface

Formation and diffusion of water dimers on rutile TiO2(110)

Formation and splitting of paired hydroxyl groups on reduced TiO2(110)

Gaussian representation for image recognition and reinforcement learning of atomistic structure

Graphene coatings: probing the limits of the one atom thick protection layer

Growth and electronic structure of epitaxial single-layer WS 2 on Au(111)

Growth of unidirectional molecular rows of cysteine on Au(110)-(1 x 2) driven by adsorbate-induced surface rearrangements

Guanine quartet networks stabilized by cooperative hydrogen bonds

Guanine- and potassium-based two-dimensional coordination network self-assembled on Au(111).

High-dimensional quantum dynamics of adsorption and desorption of H2 at Cu(111)

Hydrogen bond rotations as a uniform structural tool for analyzing protein architecture.

Imaging of the hydrogen subsurface site in rutile TiO2

In Situ Detection of Active Edge Sites in Single-Layer MoS2 Catalysts

Influence of CH···N Interaction in the Self-Assembly of an Oligo(isoquinolyne-ethynylyne) Molecule with Distinct Conformational States.

Interfacial oxygen under TiO2 supported Au clusters revealed by a genetic algorithm search

Local Chemical Reactivity of a Metal Alloy Surface

Machine learning enhanced global optimization by clustering local environments to enable bundled atomic energies

Metastable Structures and Recombination Pathways for Atomic Hydrogen on the Graphite (0001) Surface

Monitoring interconversion between stereochemical states in single chirality-transfer complexes on a platinum surface

Multidimensional potential energy surface for H2 dissociation over Cu(111)

NH3 adsorption on anatase-TiO2(101)

Nucleation and growth of Pt nanoparticles on reduced and oxidized rutile TiO₂ (110).

On-the-Fly Machine Learning of Atomic Potential in Density Functional Theory Structure Optimization.

One-dimensional PtO2 at Pt steps: formation and reaction with CO

Oxidation of Pt(110)

Oxygen adsorption at anionic free and supported Au clusters

Packing defects into ordered structures: strands on TiO2

Probing enantioselectivity with x-ray photoelectron spectroscopy and density functional theory

Pyrene: hydrogenation, hydrogen evolution, and π-band model

Pyridine adsorption and diffusion on Pt(111) investigated with density functional theory.