Yusuf Hamied Department of Chemistry

Dr Connor Box

Research Associate

Publications

The surface <i>in silico</i>: general discussion.
R Arul, EHG Backus, C Baddeley, E Borguet, CL Box, R Chikkaraddy, Á Cimas, A Cuesta, PR Davies, PM Donaldson, AP Fellows, D Ferri, RR Frontiera, M-P Gaigeot, AM Gardner, AM Gómez-Marín, Z Heiner, N Hertl, NJD Hill, DK Hore, L Jensen, S Kogikoski, D Lennon, X Li, M Oakes, C O'Brien, PB Petersen, S Pezzotti, R Raval, E Ringe, G Rupprechter, N Spiesshofer, A Tamtögl, D Täuber, M Thämer, C Todd, BM Weckhuysen, W Widdra, T Yang
Faraday Discussions
(2026)
(doi: 10.1039/d6fd90014c)
What is the question, what is the technique?: general discussion.
R Arul, EHG Backus, E Borguet, CL Box, R Chikkaraddy, A Cuesta, PR Davies, PM Donaldson, SN Erkizan, AP Fellows, D Ferri, RR Frontiera, M-P Gaigeot, LJ Hardwick, Z Heiner, N Hertl, M Hofmann, DK Hore, S Kogikoski, M Monai, JK Pattem, PB Petersen, S Pezzotti, R Raval, E Ringe, N Spiesshofer, A Tamtögl, D Täuber, C Todd, BM Weckhuysen, W Widdra
Faraday Discuss
(2026)
(doi: 10.1039/d6fd90015a)
Mode selectivity in electron-promoted vibrational relaxation of chemisorbed hydrogen on molybdenum and tungsten surfaces.
N Hertl, CL Box, RJ Maurer
Faraday discussions
(2026)
(doi: 10.1039/d5fd00116a)
Mode selectivity in electron promoted vibrational relaxation of chemisorbed hydrogen on molybdenum and tungsten surfaces
N Hertl, CL Box, RJ Maurer
(2025)
Nonadiabatic reactive scattering of hydrogen on different surface facets of copper
WG Stark, CL Box, M Sachs, N Hertl, RJ Maurer
Physical Review B
(2025)
112
(doi: 10.1103/h7vd-94pk)
Room Temperature Hydrogen Atom Scattering Experiments Are Not a Sufficient Benchmark to Validate Electronic Friction Theory
CL Box, N Hertl, WG Stark, RJ Maurer
The Journal of Physical Chemistry Letters
(2024)
15
(doi: 10.1021/acs.jpclett.4c02468)
Room Temperature Hydrogen Atom Scattering Experiments Are Not a Sufficient Benchmark to Validate Electronic Friction Theory
CL Box, N Hertl, WG Stark, RJ Maurer
(2024)
Ab initio calculation of electron-phonon linewidths and molecular dynamics with electronic friction at metal surfaces with numeric atom-centred orbitals
CL Box, WG Stark, RJ Maurer
Electronic Structure
(2023)
5
(doi: 10.1088/2516-1075/acf3c4)
Stereodynamics of adiabatic and non-adiabatic energy transfer in a molecule surface encounter
Y Zhang, CL Box, T Schäfer, A Kandratsenka, AM Wodtke, RJ Maurer, B Jiang
Phys Chem Chem Phys
(2022)
24
(doi: 10.1039/d2cp03312g)
Dissipative tunneling rates through the incorporation of first-principles electronic friction in instanton rate theory. II. Benchmarks and applications.
Y Litman, ES Pós, CL Box, R Martinazzo, RJ Maurer, M Rossi
The Journal of Chemical Physics
(2022)
156
(doi: 10.1063/5.0088400)

Research Group

Email address

clb228@cam.ac.uk
Yusuf Hamied Department of Chemistry
Lensfield Road
Cambridge
CB2 1EW
T: +44 (0) 1223 336300
enquiries@ch.cam.ac.uk
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