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Peter D Haynes

Showing results (1-10 of 27) with videos related to

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The Journal of Chemical Physics|September 7, 2010
Dynamical effects in ab initio NMR calculations: classical force fields fitted to quantum forcesMark Robinson, Peter D Haynes
The Journal of Chemical Physics|March 23, 2020
Erratum: "Achieving plane wave accuracy in linear-scaling density functional theory applied to periodic systems: A case study on crystalline silicon" [J. Chem. Phys. 127, 164712 (2007)]Chris-Kriton Skylaris, Peter D Haynes
Physical Chemistry Chemical Physics : PCCP|July 3, 2013
Ab initio calculations of the optical absorption spectra of C60-conjugated polymer hybridsLaura E Ratcliff, Peter D Haynes
The Journal of Chemical Physics|November 6, 2007
Achieving plane wave accuracy in linear-scaling density functional theory applied to periodic systems: a case study on crystalline siliconChris-Kriton Skylaris, Peter D Haynes
Nano Letters|July 7, 2022
Localized Soft Vibrational Modes and Coherent Structural Phase Transformations in Rutile TiO<sub>2</sub> Nanoparticles under Negative PressureKang Wang, Carla Molteni, Peter D Haynes
Journal of Physics. Condensed Matter : an Institute of Physics Journal|September 3, 2015
A first-principles study of the vibrational properties of crystalline tetracene under pressureMayami Abdulla, Keith Refson, Richard H Friend, et al.
The Journal of Physical Chemistry Letters|March 12, 2019
First-Principles Study of Ferroelastic Twins in Halide PerovskitesAndrew R Warwick, Jorge Íñiguez, Peter D Haynes, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal|June 23, 2011
Recent progress in linear-scaling density functional calculations with plane waves and pseudopotentials: the ONETEP codeChris-Kriton Skylaris, Peter D Haynes, Arash A Mostofi, et al.
The Journal of Chemical Physics|December 17, 2018
Multiscale simulations of critical interfacial failure in carbon nanotube-polymer compositesJacek R Gołębiowski, James R Kermode, Arash A Mostofi, et al.
Physical Chemistry Chemical Physics : PCCP|June 20, 2020
Correction: Atomistic QM/MM simulations of the strength of covalent interfaces in carbon nanotube-polymer compositesJacek R Gołębiowski, James R Kermode, Peter D Haynes, et al.
Pageof 3

Showing results (1-10 of 27) with videos related to

Sort By:
Pageof 3
The Journal of Chemical Physics|September 7, 2010
Dynamical effects in ab initio NMR calculations: classical force fields fitted to quantum forcesMark Robinson, Peter D Haynes
The Journal of Chemical Physics|March 23, 2020
Erratum: "Achieving plane wave accuracy in linear-scaling density functional theory applied to periodic systems: A case study on crystalline silicon" [J. Chem. Phys. 127, 164712 (2007)]Chris-Kriton Skylaris, Peter D Haynes
Physical Chemistry Chemical Physics : PCCP|July 3, 2013
Ab initio calculations of the optical absorption spectra of C60-conjugated polymer hybridsLaura E Ratcliff, Peter D Haynes
The Journal of Chemical Physics|November 6, 2007
Achieving plane wave accuracy in linear-scaling density functional theory applied to periodic systems: a case study on crystalline siliconChris-Kriton Skylaris, Peter D Haynes
Nano Letters|July 7, 2022
Localized Soft Vibrational Modes and Coherent Structural Phase Transformations in Rutile TiO<sub>2</sub> Nanoparticles under Negative PressureKang Wang, Carla Molteni, Peter D Haynes
Journal of Physics. Condensed Matter : an Institute of Physics Journal|September 3, 2015
A first-principles study of the vibrational properties of crystalline tetracene under pressureMayami Abdulla, Keith Refson, Richard H Friend, et al.
The Journal of Physical Chemistry Letters|March 12, 2019
First-Principles Study of Ferroelastic Twins in Halide PerovskitesAndrew R Warwick, Jorge Íñiguez, Peter D Haynes, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal|June 23, 2011
Recent progress in linear-scaling density functional calculations with plane waves and pseudopotentials: the ONETEP codeChris-Kriton Skylaris, Peter D Haynes, Arash A Mostofi, et al.
The Journal of Chemical Physics|December 17, 2018
Multiscale simulations of critical interfacial failure in carbon nanotube-polymer compositesJacek R Gołębiowski, James R Kermode, Arash A Mostofi, et al.
Physical Chemistry Chemical Physics : PCCP|June 20, 2020
Correction: Atomistic QM/MM simulations of the strength of covalent interfaces in carbon nanotube-polymer compositesJacek R Gołębiowski, James R Kermode, Peter D Haynes, et al.
Pageof 3