Publications by authors named "Peter Haynes"

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Revisiting potassium intercalation in graphite: an characterisation and computational approach.
Zhenyu Guo, Kang Wang, Yuanzhu Zhao, Gang Cheng, Yichen Huang, Peter D Haynes

EES Batter· November 2025

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Localized Soft Vibrational Modes and Coherent Structural Phase Transformations in Rutile TiO Nanoparticles under Negative Pressure.
Kang Wang, Carla Molteni, Peter D Haynes

Nano Lett· July 2022

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Experimental signature of a topological quantum dot.
Marie S Rider, Maria Sokolikova, Stephen M Hanham, Miguel Navarro-Cía, Peter D Haynes

Nanoscale· November 2020

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Correction: Atomistic QM/MM simulations of the strength of covalent interfaces in carbon nanotube-polymer composites.
Jacek R Gołębiowski, James R Kermode, Peter D Haynes, Arash A Mostofi

Phys Chem Chem Phys· July 2020

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Atomistic QM/MM simulations of the strength of covalent interfaces in carbon nanotube-polymer composites.
Jacek R Gołębiowski, James R Kermode, Peter D Haynes, Arash A Mostofi

Phys Chem Chem Phys· June 2020

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Corrigendum: Recent progress in linear-scaling density functional calculations with plane waves and pseudopotentials: the ONETEP code (2008064209).
Chris-Kriton Skylaris, Peter D Haynes, Arash A Mostofi, Mike C Payne

J Phys Condens Matter· May 2020

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The ONETEP linear-scaling density functional theory program.
Joseph C A Prentice, Jolyon Aarons, James C Womack, Alice E A Allen, Lampros Andrinopoulos, Peter D Haynes

J Chem Phys· May 2020

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Corrigendum: Using ONETEP for accurate and efficient O(N) density functional calculations (2005 J. Phys.: Condens. Matter 17 5757).
Chris-Kriton Skylaris, Peter Haynes, Arash A Mostofi, Mike Payne

J Phys Condens Matter· March 2020

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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

J Chem Phys· March 2020

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Combining Embedded Mean-Field Theory with Linear-Scaling Density-Functional Theory.
Joseph C A Prentice, Robert J Charlton, Arash A Mostofi, Peter D Haynes

J Chem Theory Comput· January 2020

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First-Principles Study of Ferroelastic Twins in Halide Perovskites.
Andrew R Warwick, Jorge Íñiguez, Peter D Haynes, Nicholas C Bristowe

J Phys Chem Lett· March 2019

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Multiscale simulations of critical interfacial failure in carbon nanotube-polymer composites.
Jacek R Gołębiowski, James R Kermode, Arash A Mostofi, Peter D Haynes

J Chem Phys· December 2018

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The role of molybdenum in suppressing cold dwell fatigue in titanium alloys.
Adam J Ready, Peter D Haynes, Blazej Grabowski, David Rugg, Adrian P Sutton

Proc Math Phys Eng Sci· July 2017

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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, Carla Molteni

Nano Lett· February 2017

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Chemically Selective Alternatives to Photoferroelectrics for Polarization-Enhanced Photocatalysis: The Untapped Potential of Hybrid Inorganic Nanotubes.
Joshua D Elliott, Emiliano Poli, Ivan Scivetti, Laura E Ratcliff, Lampros Andrinopoulos, Peter D Haynes

Adv Sci (Weinh)· February 2017

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Pressure-Induced Amorphization and a New High Density Amorphous Metallic Phase in Matrix-Free Ge Nanoparticles.
Niccolo R C Corsini, Yuanpeng Zhang, William R Little, Ali Karatutlu, Osman Ersoy, Peter D Haynes

Nano Lett· November 2015

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A first-principles study of the vibrational properties of crystalline tetracene under pressure.
Mayami Abdulla, Keith Refson, Richard H Friend, Peter D Haynes

J Phys Condens Matter· September 2015

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Toward Ab Initio Optical Spectroscopy of the Fenna-Matthews-Olson Complex.
Daniel J Cole, Alex W Chin, Nicholas D M Hine, Peter D Haynes, Mike C Payne

J Phys Chem Lett· December 2013

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Bromophenyl functionalization of carbon nanotubes: an ab initio study.
Jonathan Laflamme Janssen, Jason Beaudin, Nicholas D M Hine, Peter D Haynes, Michel Côté

Nanotechnology· September 2013

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Ab initio calculations of the optical absorption spectra of C60-conjugated polymer hybrids.
Laura E Ratcliff, Peter D Haynes

Phys Chem Chem Phys· August 2013

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Simulations of nanocrystals under pressure: combining electronic enthalpy and linear-scaling density-functional theory.
Niccolò R C Corsini, Andrea Greco, Nicholas D M Hine, Carla Molteni, Peter D Haynes

J Chem Phys· August 2013

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Electrostatic considerations affecting the calculated HOMO-LUMO gap in protein molecules.
Greg Lever, Daniel J Cole, Nicholas D M Hine, Peter D Haynes, Mike C Payne

J Phys Condens Matter· April 2013

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Community commitment.
Peter Haynes, Deborah Deatrick

Trustee· October 2012

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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, Chris-Kriton Skylaris

J Chem Phys· November 2011

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Cellular uptake mechanisms of functionalised multi-walled carbon nanotubes by 3D electron tomography imaging.
Khuloud T Al-Jamal, Hannah Nerl, Karin H Müller, Hanene Ali-Boucetta, Shouping Li, Peter D Haynes

Nanoscale· June 2011

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