Peter D. Haynes

Imperial College London — United Kingdom

Physics and Astronomy · Physical Sciences

39h-index5.0kcitations196works0.02yr avg
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Research Topics

Advanced Chemical Physics Studies(40), Spectroscopy and Quantum Chemical Studies(20), Labor Movements and Unions(20), Machine Learning in Materials Science(13), Molecular Junctions and Nanostructures(12)

Publications195 total

Revisiting potassium intercalation in graphite: an <i>operando</i> characterisation and computational approach
EES batteries.·2025Open Access
Variability of beta-plane zonal jets
2023Open Access
Localized Soft Vibrational Modes and Coherent Structural Phase Transformations in Rutile TiO<sub>2</sub> Nanoparticles under Negative Pressure
Nano Letters·2022Open Access
Localized soft vibrational modes and coherent structural phase transformations in rutile TiO2 nanoparticles under negative pressure
Zenodo (CERN European Organization for Nuclear Research)·2022Open Access
Localized soft vibrational modes and coherent structural phase transformations in rutile TiO2 nanoparticles under negative pressure
Zenodo (CERN European Organization for Nuclear Research)·2022Open Access
<i>Operando</i> Measurement of Layer Breathing Modes in Lithiated Graphite
ACS Energy Letters·2021· 67 cited
The <scp>ONETEP</scp> linear-scaling density functional theory program
The Journal of Chemical Physics·2020· 148 citedOpen Access
ONETEP: linear‐scaling density‐functional theory with local orbitals and plane waves (Phys. Status Solidi B 2006, <i>243</i>, 2489–2499)
physica status solidi (b)·2020Open Access
Implementation of linear‐scaling plane wave density functional theory on parallel computers (Phys. Status Solidi B 2006, <i>243</i>, 973–988)
physica status solidi (b)·2020Open Access
Corrigendum: Using <scp>ONETEP</scp> for accurate and efficient <i>O</i> ( <i>N</i> ) density functional calculations (2005 <i>J. Phys.: Condens. Matter</i> 17 5757)
Journal of Physics Condensed Matter·2020· 3 cited
Corrigendum: Density kernel optimization in the ONETEP code (2008 <i>J. Phys.: Condens. Matter</i> <b>20</b> 294207)
Journal of Physics Condensed Matter·2020Open Access
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)
Journal of Physics Condensed Matter·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)]
The Journal of Chemical Physics·2020
Corrigendum to “Total-energy calculations on a real space grid with localised functions and a plane-wave basis” [Comput. Phys. Comm. 147/3 (2002) 788–802]
Computer Physics Communications·2020
What U.S. Navy strategists and defense planners should think about in the era of maritime great power competition
Defense and Security Analysis·2020· 2 cited
Atomistic QM/MM simulations of the strength of covalent interfaces in carbon nanotube–polymer composites
Physical Chemistry Chemical Physics·2020· 12 citedOpen Access
Correction: Atomistic QM/MM simulations of the strength of covalent interfaces in carbon nanotube–polymer composites
Physical Chemistry Chemical Physics·2020Open Access
Experimental signature of a topological quantum dot
Nanoscale·2020· 23 citedOpen Access
Elmo Zumwalt’s Project SIXTY: Driving Institutional Change in an Era of Great Power Competition at Sea
Nomos Verlagsgesellschaft mbH & Co. KG eBooks·2020
Generalised stacking fault energy of Ni-Al and Co-Al-W superalloys: Density-functional theory calculations
Materialia·2019· 33 cited
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Frequent Co-authors

M. C. Payne(20), Arash A. Mostofi(16), Chris‐Kriton Skylaris(15), Nicholas D. M. Hine(15), Tim J. Zuehlsdorff(5), Laura E. Ratcliff(4), Jacek Dziedzic(4), Stewart McLean(4), Carla Molteni(4), Λάμπρος Ανδρινόπουλος(3), Daniel J. Cole(3), Gilberto Teobaldi(3), Peter Boxall(2), Mark Robinson(2), Michel Côté(2), R. J. Needs(2), M. C. Payne(2), C-K Skylaris(2), Emiliano Poli(2), Joshua D. Elliott(2)