Segui
Nicholas D M Hine
Nicholas D M Hine
Department of Physics, University of Warwick
Email verificata su warwick.ac.uk - Home page
Titolo
Citata da
Citata da
Anno
Determination of band offsets, hybridization, and exciton binding in 2D semiconductor heterostructures
NR Wilson, PV Nguyen, K Seyler, P Rivera, AJ Marsden, ZPL Laker, ...
Science Advances 3 (2), e1601832, 2017
3982017
Supercell size scaling of density functional theory formation energies of charged defects
NDM Hine, K Frensch, WMC Foulkes, MW Finnis
Physical Review B 79 (2), 024112, 2009
2562009
Vanadium dioxide: A Peierls-Mott insulator stable against disorder
C Weber, DD O’Regan, NDM Hine, MC Payne, G Kotliar, PB Littlewood
Physical review letters 108 (25), 256402, 2012
2482012
Tuning the role of charge-transfer states in intramolecular singlet exciton fission through side-group engineering
S Lukman, K Chen, JM Hodgkiss, DHP Turban, NDM Hine, S Dong, J Wu, ...
Nature communications 7, 13622, 2016
1992016
Visualizing electrostatic gating effects in two-dimensional heterostructures
PV Nguyen, NC Teutsch, NP Wilson, J Kahn, X Xia, AJ Graham, ...
Nature 572 (7768), 220-223, 2019
1952019
On the growth of Al2O3 scales
AH Heuer, T Nakagawa, MZ Azar, DB Hovis, JL Smialek, B Gleeson, ...
Acta materialia 61 (18), 6670-6683, 2013
1722013
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), 174111, 2020
1652020
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
1622009
Multipurpose Black-Phosphorus/hBN Heterostructures
GC Constantinescu, NDM Hine
Nano Letters 16 (4), 2586-2594, 2016
1442016
Anisotropic charge screening and supercell size convergence of defect formation energies
ST Murphy, NDM Hine
Physical Review B—Condensed Matter and Materials Physics 87 (9), 094111, 2013
1442013
Tensor network simulation of multi-environmental open quantum dynamics via machine learning and entanglement renormalisation
FAYN Schröder, DHP Turban, AJ Musser, NDM Hine, AW Chin
Nature Communications 10 (1), 1062, 2019
1282019
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
1102011
Applications of large-scale density functional theory in biology
DJ Cole, NDM Hine
Journal of Physics: Condensed Matter 28 (39), 393001, 2016
1092016
Electrostatic Interactions in Finite Systems treated with Periodic Boundary Conditions: Application to Linear-Scaling Density Functional Theory
NDM Hine, J Dziedzic, PD Haynes, CK Skylaris
The Journal of Chemical Physics 135 (20), 204103, 2011
962011
Electrostatic considerations affecting the calculated HOMO-LUMO gap in protein molecules
G Lever, DJ Cole, NDM Hine, PD Haynes, MC Payne
J. Phys.: Condens. Matter 25 (15), 152101, 2013
872013
A molecular movie of ultrafast singlet fission
C Schnedermann, AM Alvertis, T Wende, S Lukman, J Feng, ...
Nature Communications 10 (1), 1-11, 2019
822019
Linear-scaling time-dependent density-functional theory in the linear response formalism
TJ Zuehlsdorff, NDM Hine, JS Spencer, NM Harrison, DJ Riley, ...
The Journal of Chemical Physics 139 (6), 2013
782013
Point defects and non-stoichiometry in Li2TiO3
ST Murphy, NDM Hine
Chemistry of Materials 26 (4), 1629-1638, 2014
772014
Calculating optical absorption spectra for large systems using linear-scaling density functional theory
LE Ratcliff, NDM Hine, PD Haynes
Physical Review B 84 (16), 165131, 2011
772011
Predicting solvatochromic shifts and colours of a solvated organic dye: The example of nile red
TJ Zuehlsdorff, PD Haynes, MC Payne, NDM Hine
The Journal of Chemical Physics 146 (12), 124504, 2017
762017
Il sistema al momento non può eseguire l'operazione. Riprova più tardi.
Articoli 1–20