List of works - Arash A Mostofi

A first-principles study of As doping at a disordered Si-SiO2 interface.

scientific article published on 12 December 2013

Accurate and Efficient Computation of Optical Absorption Spectra of Molecular Crystals: The Case of the Polymorphs of ROY

scientific article published on 22 July 2021

Atomistic QM/MM simulations of the strength of covalent interfaces in carbon nanotube-polymer composites

scientific article published on 18 May 2020

Calculating dispersion interactions using maximally localized Wannier functions ⬇️

scientific article published on October 21, 2011

Corrigendum: Density kernel optimization in the ONETEP code (2008 J. Phys.: Condens. Matter 20 294207)

scientific article published on 18 March 2020

Corrigendum: Recent progress in linear-scaling density functional calculations with plane waves and pseudopotentials: the ONETEP code (2008 J. Phys.: Condens. Matter 20 064209)

scientific article published on 18 March 2020

Corrigendum: Using ONETEP for accurate and efficient O(N) density functional calculations (2005 J. Phys.: Condens. Matter 17 5757)

scientific article published on 18 March 2020

Dimensionality of carbon nanomaterials determines the binding and dynamics of amyloidogenic peptides: multiscale theoretical simulations

scientific article

Does water dope carbon nanotubes?

scientific article published on 01 October 2014

Introducing ONETEP: linear-scaling density functional simulations on parallel computers

scientific article (publication date: 22 February 2005)

Linear-scaling density-functional simulations of charged point defects in Al2O3 using hierarchical sparse matrix algebra

scientific article published on 01 September 2010

Multiscale simulations of critical interfacial failure in carbon nanotube-polymer composites

scientific article published on 01 December 2018

OPTIMADE, an API for exchanging materials data

scientific article published on 12 August 2021

Recent progress in linear-scaling density functional calculations with plane waves and pseudopotentials: the ONETEP code

scientific article published on 24 January 2008

The CECAM electronic structure library and the modular software development paradigm

scientific article published on 01 July 2020

The ONETEP linear-scaling density functional theory program

scientific article published on 01 May 2020

Tuning electronic properties of transition-metal dichalcogenides via defect charge

scientific article published in Scientific Reports

List of works by Arash A Mostofi

A first-principles study of As doping at a disordered Si-SiO2 interface.

Accurate and Efficient Computation of Optical Absorption Spectra of Molecular Crystals: The Case of the Polymorphs of ROY

Atomistic QM/MM simulations of the strength of covalent interfaces in carbon nanotube-polymer composites

Calculating dispersion interactions using maximally localized Wannier functions ⬇️

Corrigendum: Density kernel optimization in the ONETEP code (2008 J. Phys.: Condens. Matter 20 294207)

Corrigendum: Recent progress in linear-scaling density functional calculations with plane waves and pseudopotentials: the ONETEP code (2008 J. Phys.: Condens. Matter 20 064209)

Corrigendum: Using ONETEP for accurate and efficient O(N) density functional calculations (2005 J. Phys.: Condens. Matter 17 5757)

Dimensionality of carbon nanomaterials determines the binding and dynamics of amyloidogenic peptides: multiscale theoretical simulations

Does water dope carbon nanotubes?

Introducing ONETEP: linear-scaling density functional simulations on parallel computers

Linear-scaling density-functional simulations of charged point defects in Al2O3 using hierarchical sparse matrix algebra

Multiscale simulations of critical interfacial failure in carbon nanotube-polymer composites

OPTIMADE, an API for exchanging materials data

Recent progress in linear-scaling density functional calculations with plane waves and pseudopotentials: the ONETEP code

The CECAM electronic structure library and the modular software development paradigm

The ONETEP linear-scaling density functional theory program

Tuning electronic properties of transition-metal dichalcogenides via defect charge

Using ONETEP for accurate and efficient density functional calculations