Nicholas D M Hine

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Peter D HaynesImperial College LondonEmail yang diverifikasi di imperial.ac.uk
Neil R WilsonAssociate Professor, University of WarwickEmail yang diverifikasi di warwick.ac.uk
Alexei Barinovbeamline scientist, Elettra - Sincrotrone TriesteEmail yang diverifikasi di elettra.eu
Arash MostofiDepartments of Materials and Physics, Imperial College LondonEmail yang diverifikasi di imperial.ac.uk
W. M. C. FoulkesImperial College LondonEmail yang diverifikasi di imperial.ac.uk
Tim J ZuehlsdorffAssistant Professor in Chemistry, Oregon State UniversityEmail yang diverifikasi di oregonstate.edu
David D. O'ReganProfessor in Physics, Trinity College Dublin, The University of DublinEmail yang diverifikasi di tcd.ie
Gabriel ConstantinescuPhD in Theoretical Condensed Matter Physics, University of CambridgeEmail yang diverifikasi di cam.ac.uk
David CobdenDepartment of Physics, University of WashingtonEmail yang diverifikasi di uw.edu
Alex W ChinCentre national de la recherche scientifique ( CNRS) & Sorbonne UniversitéEmail yang diverifikasi di insp.jussieu.fr
David TurbanDeepMindEmail yang diverifikasi di google.com
Xiaodong XuDepartment of Physics, Department of MSE, University of Washington SeattleEmail yang diverifikasi di uw.edu
Andrew J MusserAssistant Professor, Cornell UniversityEmail yang diverifikasi di cornell.edu
Daniel J ColeNewcastle UniversityEmail yang diverifikasi di ncl.ac.uk
vasilios stavrosProfessor, University of BirminghamEmail yang diverifikasi di bham.ac.uk
Gilberto TeobaldiSTFC Fellow and Theme Leader, Scientific Computing Department, STFC-UKRIEmail yang diverifikasi di stfc.ac.uk
Steven LukmanEditorEmail yang diverifikasi di nature.com
Laura E RatcliffLecturer, School of Chemistry, University of BristolEmail yang diverifikasi di bristol.ac.uk
Florian A Y N SchröderCavendish Laboratory, University of CambridgeEmail yang diverifikasi di cam.ac.uk
Nelson YeungUniversity of WarwickEmail yang diverifikasi di warwick.ac.uk

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Nicholas D M Hine

Department of Physics, University of Warwick

Email yang diverifikasi di warwick.ac.uk - Beranda

Linear Scaling Density Functional Theory Nanomaterials 2D Materials Heterostructures


Judul Urutkan menurut kutipan Urutkan menurut tahun Urutkan menurut judul	Dikutip oleh Dikutip oleh	Tahun
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	411	2017
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	260	2009
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	255	2012
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	209	2019
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	201	2016
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	185	2013
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	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
Multipurpose Black-Phosphorus/hBN Heterostructures GC Constantinescu, NDM Hine Nano Letters 16 (4), 2586-2594, 2016	150	2016
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	146	2013
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	138	2019
Applications of large-scale density functional theory in biology DJ Cole, NDM Hine Journal of Physics: Condensed Matter 28 (39), 393001, 2016	115	2016
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	108	2011
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	94	2011
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	88	2013
A molecular movie of ultrafast singlet fission C Schnedermann, AM Alvertis, T Wende, S Lukman, J Feng, ... Nature Communications 10 (1), 1-11, 2019	86	2019
Point defects and non-stoichiometry in Li2TiO3 ST Murphy, NDM Hine Chemistry of Materials 26 (4), 1629-1638, 2014	81	2014
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	78	2017
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	77	2011
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	76	2013

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