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Chemistry

D-Index
79
Citations
67904
World Ranking
3530
National Ranking
197

Physics

D-Index
84
Citations
75073
World Ranking
2637
National Ranking
234

Overview

Mike C. Payne is affiliated with the University of Cambridge in the United Kingdom. Their research spans multiple fields related to materials science, engineering, and physics and astronomy. The scientist has focused extensively on materials chemistry, atomic and molecular physics and optics, and electrical and electronic engineering as key subfields in their work.

Their research topics include advanced thermoelectric materials and devices, thermal properties of materials, carbon nanotubes in composites, machine learning applications in materials science, semiconductor lasers and optical devices, microwave engineering and waveguides, and photonic crystals and their applications.

Mike C. Payne has published frequently in several scientific venues. These include:

  • Journal of Physics Condensed Matter
  • arXiv (Cornell University)
  • Scientific Reports
  • Apollo (University of Cambridge)
  • Journal of Applied Physics

Their recent papers cover a range of topics and were published between 2020 and 2022. Notable examples are:

  • The ONETEP linear-scaling density functional theory program, 2020, The Journal of Chemical Physics
  • Enhancing thermoelectric properties of single-walled carbon nanotubes using halide compounds at room temperature and above, 2021, Scientific Reports
  • The CECAM electronic structure library and the modular software development paradigm, 2020, Apollo (University of Cambridge)
  • The True Amphipathic Nature of Graphene Flakes: A Versatile 2D Stabilizer, 2020, Advanced Materials
  • Doping Engineering of Single-Walled Carbon Nanotubes by Nitrogen Compounds Using Basicity and Alignment, 2022, ACS Applied Materials & Interfaces

Mike C. Payne collaborates regularly with a group of frequent coauthors who have appeared in multiple publications together. These coauthors include:

  • Arash A. Mostofi
  • Peter D. Haynes
  • Chris-Kriton Skylaris
  • Tobias Schaich
  • Karolina Z. Milowska

The range of topics and venues, together with the group of frequent collaborators, indicates an interdisciplinary approach to scientific research that bridges computational methods, materials chemistry, and applied physics.

Best Publications

  • First principles methods using CASTEP

    Stewart J. Clark;Matthew D. Segall;Chris J. Pickard;Phil J. Hasnip

  • First-principles simulation: ideas, illustrations and the CASTEP code

    M D Segall;Philip J D Lindan;M J Probert;C J Pickard

  • Iterative minimization techniques for ab initio total-energy calculations: molecular dynamics and conjugate gradients

    M. C. Payne;M. P. Teter;D. C. Allan;T. A. Arias

  • Periodic boundary conditions in ab initio calculations.

    G. Makov;M. C. Payne

  • Gaussian approximation potentials: the accuracy of quantum mechanics, without the electrons.

    Albert P. Bartók;Mike C. Payne;Risi Kondor;Gábor Csányi

  • Electronic structure, properties, and phase stability of inorganic crystals: A pseudopotential plane-wave study

    V. Milman;B. Winkler;J. A. White;C. J. Pickard

  • Population analysis of plane-wave electronic structure calculations of bulk materials

    M. D. Segall;R. Shah;C. J. Pickard;M. C. Payne

  • THERMAL CONTRACTION AND DISORDERING OF THE AL(110) SURFACE

    Nicola Marzari;David Vanderbilt;Alessandro De Vita;M. C. Payne

  • Optimized and transferable nonlocal separable ab initio pseudopotentials

    J. S. Lin;A. Qteish;M. C. Payne;V. Heine

  • Solution of Schrödinger's equation for large systems.

    Michael P. Teter;Michael P. Teter;Michael C. Payne;Douglas C. Allan

  • Introducing ONETEP: Linear-scaling density functional simulations on parallel computers

    Chris-Kriton Skylaris;Peter D. Haynes;Arash A. Mostofi;Mike C. Payne

  • Surface diffusion: the low activation energy path for nanotube growth.

    S. Hofmann;G. Csányi;A. C. Ferrari;M. C. Payne

  • New insights into the origin of visible light photocatalytic activity of nitrogen-doped and oxygen-deficient anatase TiO2.

    Zheshuai Lin;Alexander Orlov;Richard M. Lambert;Michael C. Payne

  • Finite basis set corrections to total energy pseudopotential calculations

    G P Francis;M C Payne

  • Population analysis in plane wave electronic structure calculations

    M. D. Segall;C. J. Pickard;R. Shah;M. C. Payne

  • Ensemble density-functional theory for ab initio molecular dynamics of metals and finite-temperature insulators

    Nicola Marzari;Nicola Marzari;David Vanderbilt;M. C. Payne

  • Theoretical strength and cleavage of diamond

    R. H. Telling;C. J. Pickard;M. C. Payne;J. E. Field

  • "Learn on the fly": a hybrid classical and quantum-mechanical molecular dynamics simulation.

    Gabor Csányi;T. Albaret;M. C. Payne;A. De Vita;A. De Vita

  • Water chemisorption and reconstruction of the MgO surface.

    K. Refson;R. A. Wogelius;D. G. Fraser;M. C. Payne

  • Chemically active substitutional nitrogen impurity in carbon nanotubes.

    Andriy H. Nevidomskyy;Gábor Csányi;Michael C. Payne

Frequent Co-Authors

Chris-Kriton Skylaris
Chris-Kriton Skylaris University of Southampton
Gábor Csányi
Gábor Csányi University of Cambridge
Volker Heine
Volker Heine University of Cambridge
Chris J. Pickard
Chris J. Pickard University of Cambridge
Julian D. Gale
Julian D. Gale Curtin University
Nicola Marzari
Nicola Marzari École Polytechnique Fédérale de Lausanne
Ashok R. Venkitaraman
Ashok R. Venkitaraman Agency for Science, Technology and Research
Kiyoyuki Terakura
Kiyoyuki Terakura National Institute for Materials Science
Emilio Artacho
Emilio Artacho University of Cambridge

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