Arash Mostofi

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Peter D HaynesImperial College LondonZweryfikowany adres z imperial.ac.uk
Nicola MarzariÉcole Polytechnique Fédérale de Lausanne (EPFL), and Paul Scherrer Institut (PSI)Zweryfikowany adres z epfl.ch
Johannes LischnerImperial College LondonZweryfikowany adres z imperial.ac.uk
Jonathan YatesDepartment of Materials, University of OxfordZweryfikowany adres z materials.ox.ac.uk
David VanderbiltProfessor of Physics and Astronomy, Rutgers UniversityZweryfikowany adres z physics.rutgers.edu
Zachary A. H. GoodwinUniversity of Oxford, Harvard UniversityZweryfikowany adres z seas.harvard.edu
Nicholas D M HineDepartment of Physics, University of WarwickZweryfikowany adres z warwick.ac.uk
Young-Su LeeKorea Institute of Science and TechnologyZweryfikowany adres z kist.re.kr
Fabiano CorsettiMicrosoftZweryfikowany adres z microsoft.com
Giovanni PizziLaboratory for Materials Simulations, Paul Scherrer Institute (PSI), Villigen PSI, SwitzerlandZweryfikowany adres z psi.ch
Valerio VitaleMarie Skłodowska-Curie Fellow, University of TriesteZweryfikowany adres z units.it
Nicholas C BristoweUniversity of DurhamZweryfikowany adres z durham.ac.uk
Mark S. SennUniversity of WarwickZweryfikowany adres z warwick.ac.uk
Chris AblittDepartment of Chemistry, University of WarwickZweryfikowany adres z warwick.ac.uk
Adrian Sutton FRSImperial College LondonZweryfikowany adres z imperial.ac.uk
David D. O'ReganProfessor in Physics, Trinity College Dublin, The University of DublinZweryfikowany adres z tcd.ie
Jacek DziedzicSenior Research Fellow, University of SouthamptonZweryfikowany adres z soton.ac.uk
Oswaldo DieguezTel Aviv UniversityZweryfikowany adres z post.tau.ac.il
Joshua D. ElliottDiamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot, Oxfordshire, UnitedZweryfikowany adres z diamond.ac.uk
Gilberto TeobaldiSTFC Fellow and Theme Leader, Scientific Computing Department, STFC-UKRIZweryfikowany adres z stfc.ac.uk

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Arash Mostofi

Departments of Materials and Physics, Imperial College London

Zweryfikowany adres z imperial.ac.uk - Strona główna

electronic structure computational materials science condensed matter materials physics density-functional theory


Tytuł Sortuj wg cytatów Sortuj wg roku Sortuj wg tytułu	Cytowane przez Cytowane przez	Rok
wannier90: A tool for obtaining maximally-localised Wannier functions AA Mostofi, JR Yates, YS Lee, I Souza, D Vanderbilt, N Marzari Computer physics communications 178 (9), 685-699, 2008	4112	2008
Maximally localized Wannier functions: Theory and applications N Marzari, AA Mostofi, JR Yates, I Souza, D Vanderbilt Reviews of Modern Physics 84 (4), 1419-1475, 2011	3329	2011
An updated version of Wannier90: a tool for obtaining maximally-localised Wannier functions AA Mostofi, JR Yates, G Pizzi, YS Lee, I Souza, D Vanderbilt, N Marzari Computer Physics Communications 185 (8), 2309-2310, 2014	2241	2014
Wannier90 as a community code: new features and applications G Pizzi, V Vitale, R Arita, S Blügel, F Freimuth, G Géranton, M Gibertini, ... Journal of Physics: Condensed Matter 32, 165902, 2019	1625	2019
Introducing ONETEP: Linear-scaling density functional simulations on parallel computers CK Skylaris, PD Haynes, AA Mostofi, MC Payne The Journal of Chemical Physics 122, 084119, 2005	675	2005
Nonorthogonal generalized Wannier function pseudopotential plane-wave method CK Skylaris, AA Mostofi, PD Haynes, O Diéguez, MC Payne Physical Review B 66 (3), 035119, 2002	215	2002
The ONETEP linear-scaling density functional theory program JCA Prentice, J Aarons, JC Womack, AEA Allen, L Andrinopoulos, ... The Journal of chemical physics 152 (17), 2020	170	2020
Linear-scaling density-functional theory with tens of thousands of atoms: Expanding the scope and scale of calculations with ONETEP NDM Hine, PD Haynes, AA Mostofi, CK Skylaris, MC Payne Computer Physics Communications 180 (7), 1041-1053, 2009	162	2009
Preconditioned iterative minimization for linear-scaling electronic structure calculations AA Mostofi, PD Haynes, CK Skylaris, MC Payne The Journal of Chemical Physics 119, 8842, 2003	155	2003
Minimal parameter implicit solvent model for ab initio electronic-structure calculations J Dziedzic, HH Helal, CK Skylaris, AA Mostofi, MC Payne Europhysics Letters 95 (4), 43001, 2011	112	2011
OPTIMADE, an API for exchanging materials data CW Andersen, R Armiento, E Blokhin, GJ Conduit, S Dwaraknath, ... Scientific Data 8, 217, 2021	110	2021
Accurate ionic forces and geometry optimization in linear-scaling density-functional theory with local orbitals NDM Hine, M Robinson, PD Haynes, CK Skylaris, MC Payne, AA Mostofi Physical Review B—Condensed Matter and Materials Physics 83 (19), 195102, 2011	108	2011
System-size convergence of point defect properties: The case of the silicon vacancy F Corsetti, AA Mostofi Physical Review B—Condensed Matter and Materials Physics 84 (3), 035209, 2011	101	2011
Multiscale molecular simulations of the formation and structure of polyamide membranes created by interfacial polymerization J Muscatello, EA Müller, AA Mostofi, AP Sutton Journal of Membrane Science 527, 180-190, 2017	89	2017
Total-energy calculations on a real space grid with localized functions and a plane-wave basis AA Mostofi, CK Skylaris, PD Haynes, MC Payne Computer Physics Communications 147 (3), 788-802, 2002	87	2002
ONETEP: linear‐scaling density‐functional theory with local orbitals and plane waves PD Haynes, CK Skylaris, AA Mostofi, MC Payne physica status solidi (b) 243 (11), 2489-2499, 2006	80	2006
Flat band properties of twisted transition metal dichalcogenide homo- and heterobilayers of MoS2, MoSe2, WS2 and WSe2 V Vitale, K Atalar, AA Mostofi, J Lischner 2D Materials 8 (4), 045010, 2021	78	2021
Subspace representations in ab initio methods for strongly correlated systems DD O’Regan, MC Payne, AA Mostofi Physical Review B 83 (24), 245124, 2011	76	2011
Elimination of basis set superposition error in linear-scaling density-functional calculations with local orbitals optimised in situ PD Haynes, CK Skylaris, AA Mostofi, MC Payne Chemical Physics Letters 422 (4), 345-349, 2006	72	2006
Hartree theory calculations of quasiparticle properties in twisted bilayer graphene ZAH Goodwin, V Vitale, X Liang, AA Mostofi, J Lischner Electronic Structure 2 (3), 034001, 2020	70	2020

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