Publications

Publications by Connor L. Box on nonadiabatic dynamics, electronic friction, electron-phonon coupling, surface chemistry, and superconductivity.

2026

  1. FHI-aims-logo.png
    Roadmap on Advancements of the FHI-aims Software Package
    Joseph W Abbott, Carlos Mera Acosta, Alaa Akkoush, and 12 more authors
    Electronic Structure, 2026
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  2. faraday_mode_selectivity.svg
    Mode selectivity in electron-promoted vibrational relaxation of chemisorbed hydrogen on molybdenum and tungsten surfaces
    Nils Hertl, Connor L Box, and Reinhard J Maurer
    Faraday Discussions, Aug 2026
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  3. Memory-dependent electronic friction for nonadiabatic dynamics at metal surfaces
    Xuexun Lu, Connor L Box, Nils Hertl, and 1 more author
    Aug 2026
    arXiv:2608.12572 [cond-mat.mtrl-sci]
    DOI HTML
  4. FHI-aims-logo.png
    Tc from real space: first-principles electron-phonon superconductivity in FHI-aims
    Connor L Box, Pedro N Ferreira, Eva Kogler, and 2 more authors
    Aug 2026
    In preparation

2025

  1. Density-Functional Perturbation Theory with Numeric Atom-Centered Orbitals
    Connor L Box, Reinhard J Maurer, Honghui Shang, and 4 more authors
    arXiv preprint arXiv:2501.16091, Aug 2025
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  2. prb_copper_facets.svg
    Nonadiabatic reactive scattering of hydrogen on different surface facets of copper
    Wojciech G Stark, Connor L Box, Matthias Sachs, and 2 more authors
    Physical Review B, Aug 2025
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2024

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    Room Temperature Hydrogen Atom Scattering Experiments Are Not a Sufficient Benchmark to Validate Electronic Friction Theory
    Connor L Box, Nils Hertl, Wojciech G Stark, and 1 more author
    The Journal of Physical Chemistry Letters, Aug 2024
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2023

  1. h2cu.png
    Ab initio calculation of electron-phonon linewidths and molecular dynamics with electronic friction at metal surfaces with numeric atom-centred orbitals
    Connor L Box, Wojciech G Stark, and Reinhard J Maurer
    Electronic Structure, Aug 2023
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  2. thesis.png
    First principles simulation of electronic friction effects in dynamics at metal surfaces
    Connor L Box
    University of Warwick, Aug 2023
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2022

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    Dissipative Tunneling Rates through the Incorporation of First-Principles Electronic Friction in Instanton Rate Theory II: Benchmarks and Applications
    Yair Litman, Eszter Sarolta Pós, Connor L Box, and 3 more authors
    The Journal of Chemical Physics, Aug 2022
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    Dissipative tunneling rates through the incorporation of first-principles electronic friction in instanton rate theory. I. Theory
    Yair Litman, Eszter Sarolta Pós, Connor L Box, and 3 more authors
    The Journal of Chemical Physics, Aug 2022
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  3. stereo.jpeg
    Stereodynamics of adiabatic and non-adiabatic energy transfer in a molecule surface encounter
    Yaolong Zhang, Connor L Box, Tim Schäfer, and 4 more authors
    Physical Chemistry Chemical Physics, Aug 2022
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2021

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    Determining the effect of hot electron dissipation on molecular scattering experiments at metal surfaces
    Connor L Box, Yaolong Zhang, Rongrong Yin, and 2 more authors
    JACS Au, Aug 2021
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  2. nanoscale_cover.png
    Plasmonic enhancement of molecular hydrogen dissociation on metallic magnesium nanoclusters
    Oscar A Douglas-Gallardo, Connor L Box, and Reinhard J Maurer
    Nanoscale, Aug 2021
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