Arash Mostofi
Title
Cited by
Cited by
Year
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
23452008
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
16422011
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
9052014
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
5722005
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
1892002
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
1472009
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
1392019
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
1392003
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 83 (19), 195102, 2011
972011
Minimal parameter implicit solvent model for ab initio electronic-structure calculations
J Dziedzic, HH Helal, CK Skylaris, AA Mostofi, MC Payne
EPL (Europhysics Letters) 95 (4), 43001, 2011
842011
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
812002
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
732006
Subspace representations in ab initio methods for strongly correlated systems
DD O’Regan, MC Payne, AA Mostofi
Physical Review B 83 (24), 245124, 2011
662011
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
632006
Using ONETEP for accurate and efficient density functional calculations
CK Skylaris, PD Haynes, AA Mostofi, MC Payne
Journal of Physics: Condensed Matter 17 (37), 5757, 2005
622005
System-size convergence of point defect properties: The case of the silicon vacancy
F Corsetti, AA Mostofi
Physical Review B 84 (3), 035209, 2011
602011
Implementation of linear‐scaling plane wave density functional theory on parallel computers
CK Skylaris, PD Haynes, AA Mostofi, MC Payne
physica status solidi (b) 243 (5), 973-988, 2006
582006
A converse approach to the calculation of NMR shielding tensors
T Thonhauser, D Ceresoli, AA Mostofi, N Marzari, R Resta, D Vanderbilt
The Journal of Chemical Physics 131 (10), 101101, 2009
552009
Dimensionality of carbon nanomaterials determines the binding and dynamics of amyloidogenic peptides: multiscale theoretical simulations
N Todorova, AJ Makarucha, NDM Hine, AA Mostofi, I Yarovsky
PLoS Comput Biol 9 (12), e1003360, 2013
542013
Density kernel optimization in the ONETEP code
PD Haynes, CK Skylaris, AA Mostofi, MC Payne
Journal of Physics: Condensed Matter 20 (29), 294207, 2008
522008
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