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Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
March 19, 2020
Corrigendum: Recent progress in linear-scaling density functional calculations with plane waves and pseudopotentials: the ONETEP code (2008<i>J. Phys.: Condens. Matter</i><b>20</b>064209)
Chris-Kriton Skylaris, Peter D Haynes, Arash A Mostofi, et al.
The Journal of Chemical Physics
|
April 20, 2005
Introducing ONETEP: linear-scaling density functional simulations on parallel computers
Chris-Kriton Skylaris, Peter D Haynes, Arash A Mostofi, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 19, 2020
Atomistic QM/MM simulations of the strength of covalent interfaces in carbon nanotube-polymer composites
Jacek R Gołębiowski, James R Kermode, Peter D Haynes, et al.
The Journal of Chemical Physics
|
December 2, 2011
Electrostatic interactions in finite systems treated with periodic boundary conditions: application to linear-scaling density functional theory
Nicholas D M Hine, Jacek Dziedzic, Peter D Haynes, et al.
Nano Letters
|
January 28, 2017
Unravelling the Roles of Size, Ligands, and Pressure in the Piezochromic Properties of CdS Nanocrystals
Niccolò R C Corsini, Nicholas D M Hine, Peter D Haynes, et al.
Proceedings. Mathematical, Physical, and Engineering Sciences
|
August 15, 2017
The role of molybdenum in suppressing cold dwell fatigue in titanium alloys
Adam J Ready, Peter D Haynes, Blazej Grabowski, et al.
Journal of Chemical Theory and Computation
|
November 26, 2019
Combining Embedded Mean-Field Theory with Linear-Scaling Density-Functional Theory
Joseph C A Prentice, Robert J Charlton, Arash A Mostofi, et al.
Nanotechnology
|
August 27, 2013
Bromophenyl functionalization of carbon nanotubes: an ab initio study
Jonathan Laflamme Janssen, Jason Beaudin, Nicholas D M Hine, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
March 9, 2013
Electrostatic considerations affecting the calculated HOMO-LUMO gap in protein molecules
Greg Lever, Daniel J Cole, Nicholas D M Hine, et al.
The Journal of Chemical Physics
|
September 7, 2013
Simulations of nanocrystals under pressure: combining electronic enthalpy and linear-scaling density-functional theory
Niccolò R C Corsini, Andrea Greco, Nicholas D M Hine, et al.
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of 3
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Showing results (11-20 of 27) with videos related to
Sort By:
Page
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Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
March 19, 2020
Corrigendum: Recent progress in linear-scaling density functional calculations with plane waves and pseudopotentials: the ONETEP code (2008<i>J. Phys.: Condens. Matter</i><b>20</b>064209)
Chris-Kriton Skylaris, Peter D Haynes, Arash A Mostofi, et al.
The Journal of Chemical Physics
|
April 20, 2005
Introducing ONETEP: linear-scaling density functional simulations on parallel computers
Chris-Kriton Skylaris, Peter D Haynes, Arash A Mostofi, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 19, 2020
Atomistic QM/MM simulations of the strength of covalent interfaces in carbon nanotube-polymer composites
Jacek R Gołębiowski, James R Kermode, Peter D Haynes, et al.
The Journal of Chemical Physics
|
December 2, 2011
Electrostatic interactions in finite systems treated with periodic boundary conditions: application to linear-scaling density functional theory
Nicholas D M Hine, Jacek Dziedzic, Peter D Haynes, et al.
Nano Letters
|
January 28, 2017
Unravelling the Roles of Size, Ligands, and Pressure in the Piezochromic Properties of CdS Nanocrystals
Niccolò R C Corsini, Nicholas D M Hine, Peter D Haynes, et al.
Proceedings. Mathematical, Physical, and Engineering Sciences
|
August 15, 2017
The role of molybdenum in suppressing cold dwell fatigue in titanium alloys
Adam J Ready, Peter D Haynes, Blazej Grabowski, et al.
Journal of Chemical Theory and Computation
|
November 26, 2019
Combining Embedded Mean-Field Theory with Linear-Scaling Density-Functional Theory
Joseph C A Prentice, Robert J Charlton, Arash A Mostofi, et al.
Nanotechnology
|
August 27, 2013
Bromophenyl functionalization of carbon nanotubes: an ab initio study
Jonathan Laflamme Janssen, Jason Beaudin, Nicholas D M Hine, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
March 9, 2013
Electrostatic considerations affecting the calculated HOMO-LUMO gap in protein molecules
Greg Lever, Daniel J Cole, Nicholas D M Hine, et al.
The Journal of Chemical Physics
|
September 7, 2013
Simulations of nanocrystals under pressure: combining electronic enthalpy and linear-scaling density-functional theory
Niccolò R C Corsini, Andrea Greco, Nicholas D M Hine, et al.
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of 3