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The Journal of Chemical Physics
|
July 10, 2017
Comment on "Development of an interatomic potential for the simulation of defects, plasticity, and phase transformations in titanium" [J. Chem. Phys. 145, 154102 (2016)]
Adam J Ready, P D Haynes, A P Sutton
Nature Communications
|
August 6, 2016
Single-electron induced surface plasmons on a topological nanoparticle
G Siroki, D K K Lee, P D Haynes, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
March 10, 2011
Methods for calculating forces within quantum Monte Carlo simulations
A Badinski, P D Haynes, J R Trail, et al.
Physical Review Letters
|
February 21, 2006
Are the structures of twist grain boundaries in silicon ordered at 0 K?
S von Alfthan, P D Haynes, K Kaski, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
March 19, 2020
Corrigendum: Density kernel optimization in the ONETEP code (2008<i>J. Phys.: Condens. Matter</i><b>20</b>294207)
P D Haynes, C-K Skylaris, A A Mostofi, et al.
The Journal of Chemical Physics
|
April 8, 2017
Predicting solvatochromic shifts and colours of a solvated organic dye: The example of nile red
T J Zuehlsdorff, P D Haynes, M C Payne, et al.
The Journal of Chemical Physics
|
December 3, 2015
Linear-scaling time-dependent density-functional theory beyond the Tamm-Dancoff approximation: Obtaining efficiency and accuracy with in situ optimised local orbitals
T J Zuehlsdorff, N D M Hine, M C Payne, et al.
The Journal of Chemical Physics
|
June 10, 2016
Erratum: "Linear-scaling time-dependent density-functional theory beyond the Tamm-Dancoff approximation: Obtaining efficiency and accuracy with in situ optimised local orbitals" [J. Chem. Phys. 143, 204107 (2015)]
T J Zuehlsdorff, N D M Hine, M C Payne, et al.
The Journal of Chemical Physics
|
September 28, 2010
Linear-scaling density-functional simulations of charged point defects in Al2O3 using hierarchical sparse matrix algebra
N D M Hine, P D Haynes, A A Mostofi, et al.
Physical Review Letters
|
September 28, 2004
Structural relaxations in electronically excited poly(para-phenylene)
Emilio Artacho, M Rohlfing, M Côté, et al.
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Showing results (1-10 of 16) with videos related to
Sort By:
Page
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The Journal of Chemical Physics
|
July 10, 2017
Comment on "Development of an interatomic potential for the simulation of defects, plasticity, and phase transformations in titanium" [J. Chem. Phys. 145, 154102 (2016)]
Adam J Ready, P D Haynes, A P Sutton
Nature Communications
|
August 6, 2016
Single-electron induced surface plasmons on a topological nanoparticle
G Siroki, D K K Lee, P D Haynes, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
March 10, 2011
Methods for calculating forces within quantum Monte Carlo simulations
A Badinski, P D Haynes, J R Trail, et al.
Physical Review Letters
|
February 21, 2006
Are the structures of twist grain boundaries in silicon ordered at 0 K?
S von Alfthan, P D Haynes, K Kaski, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
March 19, 2020
Corrigendum: Density kernel optimization in the ONETEP code (2008<i>J. Phys.: Condens. Matter</i><b>20</b>294207)
P D Haynes, C-K Skylaris, A A Mostofi, et al.
The Journal of Chemical Physics
|
April 8, 2017
Predicting solvatochromic shifts and colours of a solvated organic dye: The example of nile red
T J Zuehlsdorff, P D Haynes, M C Payne, et al.
The Journal of Chemical Physics
|
December 3, 2015
Linear-scaling time-dependent density-functional theory beyond the Tamm-Dancoff approximation: Obtaining efficiency and accuracy with in situ optimised local orbitals
T J Zuehlsdorff, N D M Hine, M C Payne, et al.
The Journal of Chemical Physics
|
June 10, 2016
Erratum: "Linear-scaling time-dependent density-functional theory beyond the Tamm-Dancoff approximation: Obtaining efficiency and accuracy with in situ optimised local orbitals" [J. Chem. Phys. 143, 204107 (2015)]
T J Zuehlsdorff, N D M Hine, M C Payne, et al.
The Journal of Chemical Physics
|
September 28, 2010
Linear-scaling density-functional simulations of charged point defects in Al2O3 using hierarchical sparse matrix algebra
N D M Hine, P D Haynes, A A Mostofi, et al.
Physical Review Letters
|
September 28, 2004
Structural relaxations in electronically excited poly(para-phenylene)
Emilio Artacho, M Rohlfing, M Côté, et al.
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of 2