Arash Mostofi
机构: Departments of Materials and Physics, Imperial College London
主页: mostofigroup.org
每年引用次数
引用次数
引用: 13,876
H-指数: 39
I10-指数 : 67
出版物: 87
Density kernel optimization in the ONETEP code
P D Haynes , C-K Skylaris , A A Mostofi , M C Payne
Journal of Physics: Condensed Matter 20 ( 29) 294207
44
2008
The potential of imogolite nanotubes as (co-)photocatalysts: a linear-scaling density functional theory study
E Poli , J D Elliott , L E Ratcliff , L Andrinopoulos
Journal of Physics: Condensed Matter 28 ( 7) 074003 -074003
39
2016
Elimination of basis set superposition error in linear-scaling density-functional calculations with local orbitals optimised in situ
P.D. Haynes , C.-K. Skylaris , A.A. Mostofi , M.C. Payne
Chemical Physics Letters 422 345 -349
49
2006
Multiscale molecular simulations of the formation and structure of polyamide membranes created by interfacial polymerization
J. Muscatello , E.A. Müller , A.A. Mostofi , A.P. Sutton
Journal of Membrane Science 527 180 -190
24
2017
A Multi-Scale Model for Polymer Membranes
R.J. Broadbent , J.S. Spencer , A.G. Livingston , A.A. Mostofi
Procedia Engineering 44 489 -490
2012
Linear-scaling density-functional theory with tens of thousands of atoms: Expanding the scope and scale of calculations with ONETEP
N.D.M. Hine , P.D. Haynes , A.A. Mostofi , C.-K. Skylaris
Computer Physics Communications 180 ( 7) 1041 -1053
127
2009
On linear-scaling methods for quantum mechanical first-principles calculations
Arash Abolhassan Mostofi
University of Cambridge
7
2004
Hartree theory calculations of quasiparticle properties in twisted bilayer graphene
Arash A. Mostofi , Zachary A. H. Goodwin , Valerio Vitale , Xia Liang
arXiv: Mesoscale and Nanoscale Physics
36
2020
Importance of long-ranged electron-electron interactions for the magnetic phase diagram of twisted bilayer graphene
Johannes Lischner , Arash A. Mostofi , Zachary A. H. Goodwin , Lennart Klebl
Physical Review B 103 ( 19)
3
2021
Accurate and efficient computation of optical absorption spectra of molecular crystals: the case of the polymorphs of ROY
Arash A. Mostofi , Joseph C. A. Prentice
arXiv: Materials Science
2
2021
Flat bands, electron interactions and magnetic order in magic-angle mono-trilayer graphene.
Johannes Lischner , Dante M. Kennes , Arash A. Mostofi , Zachary A. H. Goodwin
arXiv: Mesoscale and Nanoscale Physics
10
2021
Tuning electronic properties of transition-metal dichalcogenides via defect charge.
Martik Aghajanian , Arash A. Mostofi , Johannes Lischner
Scientific Reports 8 ( 1) 13611 -13611
18
2018
The ONETEP linear-scaling density functional theory program.
Joseph C. A. Prentice , Jolyon Aarons , James C. Womack , Alice E. A. Allen
Journal of Chemical Physics 152 ( 17) 174111
96
2020
System-size convergence of point defect properties: The case of the silicon vacancy
Fabiano Corsetti , Arash A. Mostofi
Physical Review B 84 ( 3) 035209
85
2011
Accurate ionic forces and geometry optimization in linear-scaling density-functional theory with local orbitals
Nicholas D. M. Hine , Mark Robinson , Peter D. Haynes , Chris-Kriton Skylaris
Physical Review B 83 ( 19) 195102
73
2011
Maximally localized Wannier functions: Theory and applications
Nicola Marzari , Arash A. Mostofi , Jonathan R. Yates , Ivo Souza
Reviews of Modern Physics 84 ( 4) 1419 -1475
2,366
2012
Tolerance Factor Control of Uniaxial Negative Thermal Expansion in a Layered Perovskite
Chris Ablitt , Harriet McCay , Sarah Craddock , Lauren Cooper
Chemistry of Materials 32 ( 1) 605 -610
13
2020
Does water dope carbon nanotubes
Robert A. Bell , Michael C. Payne , Arash A. Mostofi
Journal of Chemical Physics 141 ( 16) 164703
22
2014
Accurate kinetic energy evaluation in electronic structure calculations with localized functions on real space grids
Chris-Kriton Skylaris , Arash A. Mostofi , Peter D. Haynes , Chris J. Pickard
Computer Physics Communications 140 ( 3) 315 -322
54
2001
Projector Self-Consistent DFT+U Using Nonorthogonal Generalised Wannier Functions
David D. O’Regan , Nicholas D. M. Hine , Mike C. Payne , Arash A. Mostofi
Physical Review B 82 ( 8) 65 -88
43
2010
Peter D Haynes Nicola Marzari Johannes Lischner David Vanderbilt Jonathan Yates Nicholas D M Hine Young-Su Lee Zachary A. H. Goodwin Fabiano Corsetti Valerio Vitale Giovanni Pizzi Nicholas C Bristowe Mark S. Senn Adrian Sutton FRS David D. O'Regan Jacek Dziedzic Oswaldo Dieguez Joshua D. Elliott Gilberto Teobaldi