List of works - Matthieu Verstraete

ABINIT: Overview and focus on selected capabilities

scientific article published on 01 March 2020

Ab initio calculation of the thermal conductivity of indium antimonide

Aluminum conducts better than copper at the atomic scale: a first-principles study of metallic atomic wires

scientific article published on 24 October 2012

Are hydrogen-bonded charge transfer crystals room temperature ferroelectrics?

scientific article published on 03 December 2014

Computational Benchmarking for Ultrafast Electron Dynamics: Wave Function Methods vs Density Functional Theory

scientific article published in May 2015

Conflicting evidence for ferroelectricity.

scientific article

Demixing processes in AgPd superlattices

scientific article published on 19 June 2009

Electron-Beam Manipulation of Silicon Dopants in Graphene

scientific article published on 03 July 2018

First principles explanation of the positive Seebeck coefficient of lithium

scientific article

First-principles computation of the electronic and dynamical properties of solids and nanostructures with ABINIT (abstract only) ⬇️

scientific article published on January 24, 2008

First-principles conductance of nanoscale junctions from the polarizability of finite systems

scientific article published on 01 March 2009

First-principles study of the lattice dynamical properties of strontium ruthenate

scientific article published on 12 December 2013

Functionality in single-molecule devices: model calculations and applications of the inelastic electron tunneling signal in molecular junctions

scientific article published on 01 February 2012

High Temperature Ferromagnetism in a GdAg2 Monolayer

scientific article published on 06 June 2016

Origin of the counterintuitive dynamic charge in the transition metal dichalcogenides

scholarly article in Physical Review B, vol. 95 no. 20, May 2017

Phases of polonium via density functional theory

scientific article published on 20 January 2010

Quantitative Agreement between Electron-Optical Phase Images ofWSe2and Simulations Based on Electrostatic Potentials that Include Bonding Effects ⬇️

scientific article published in Physical Review Letters

Quasi-One-Dimensional Metal-Insulator Transitions in Compound Semiconductor Surfaces

scientific article published on 6 September 2016

Rare-earth surface alloying: a new phase for GdAu2.

scientific article published on 2 July 2010

Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems ⬇️

scientific article

Role of dynamical instability in the ab initio phase diagram of calcium

scientific article published on 10 July 2013

Strain-induced effects in the electronic and spin properties of a monolayer of ferromagnetic GdAg2

scientific article published on 09 November 2016

TB2J: A python package for computing magnetic interaction parameters

scientific article published in 2021

Temperature dependence of the electronic structure of semiconductors and insulators

scientific article published on 01 September 2015

The high conductivity of iron and thermal evolution of the Earth’s core

scholarly article by Hitoshi Gomi et al published November 2013 in Physics of the Earth and Planetary Interiors

The psml format and library for norm-conserving pseudopotential data curation and interoperability

Two-Step Phase Transition in SnSe and the Origins of its High Power Factor from First Principles

scientific article published on 30 December 2016

Zhao et al. Reply

scientific article published on 09 June 2017

List of works by Matthieu Verstraete

ABINIT: Overview and focus on selected capabilities

Ab initio calculation of the thermal conductivity of indium antimonide

Aluminum conducts better than copper at the atomic scale: a first-principles study of metallic atomic wires

Are hydrogen-bonded charge transfer crystals room temperature ferroelectrics?

Computational Benchmarking for Ultrafast Electron Dynamics: Wave Function Methods vs Density Functional Theory

Conflicting evidence for ferroelectricity.

Demixing processes in AgPd superlattices

Electron-Beam Manipulation of Silicon Dopants in Graphene

First principles explanation of the positive Seebeck coefficient of lithium

First-principles computation of the electronic and dynamical properties of solids and nanostructures with ABINIT (abstract only) ⬇️

First-principles conductance of nanoscale junctions from the polarizability of finite systems

First-principles study of the lattice dynamical properties of strontium ruthenate

Functionality in single-molecule devices: model calculations and applications of the inelastic electron tunneling signal in molecular junctions

High Temperature Ferromagnetism in a GdAg2 Monolayer

Origin of the counterintuitive dynamic charge in the transition metal dichalcogenides

Phases of polonium via density functional theory

Quantitative Agreement between Electron-Optical Phase Images ofWSe2and Simulations Based on Electrostatic Potentials that Include Bonding Effects ⬇️

Quasi-One-Dimensional Metal-Insulator Transitions in Compound Semiconductor Surfaces

Rare-earth surface alloying: a new phase for GdAu2.

Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems ⬇️

Role of dynamical instability in the ab initio phase diagram of calcium

Strain-induced effects in the electronic and spin properties of a monolayer of ferromagnetic GdAg2

TB2J: A python package for computing magnetic interaction parameters

Temperature dependence of the electronic structure of semiconductors and insulators

The high conductivity of iron and thermal evolution of the Earth’s core

The psml format and library for norm-conserving pseudopotential data curation and interoperability

Two-Step Phase Transition in SnSe and the Origins of its High Power Factor from First Principles

Zhao et al. Reply