The surface in silico: general discussion

Rakesh Arul; Ellen H G Backus; Christopher Baddeley; Eric Borguet; Connor L Box; Rohit Chikkaraddy; Álvaro Cimas; Angel Cuesta; Philip R Davies; Paul M Donaldson; Alexander P Fellows; Davide Ferri; Renee R Frontiera; Marie-Pierre Gaigeot; Adrian M Gardner; Ana M Gómez-Marín; Zsuzsanna Heiner; Nils Hertl; Nathaniel J D Hill; Dennis K Hore; Lasse Jensen; Sergio Kogikoski; David Lennon; Xia Li; Matthew Oakes; Ciarán O'Brien; Poul B Petersen; Simone Pezzotti; Rasmita Raval; Emilie Ringe; Günther Rupprechter; Nicolas Spiesshofer; Anton Tamtögl; Daniela Täuber; Martin Thämer; Caleb Todd; Bert M Weckhuysen; Wolf Widdra; Tao Yang

doi:10.1039/d6fd90014c

The surface in silico: general discussion

Rakesh Arul
, Ellen H G Backus
, Christopher Baddeley
, Eric Borguet
, Connor L Box
, Rohit Chikkaraddy
, Álvaro Cimas
, Angel Cuesta
, Philip R Davies
, Paul M Donaldson
, Alexander P Fellows
, Davide Ferri
, Renee R Frontiera
, Marie-Pierre Gaigeot
, Adrian M Gardner
, Ana M Gómez-Marín
, Zsuzsanna Heiner
, Nils Hertl
, Nathaniel J D Hill
, Dennis K Hore

Lasse Jensen, Sergio Kogikoski, David Lennon, Xia Li, Matthew Oakes, Ciarán O'Brien, Poul B Petersen, Simone Pezzotti, Rasmita Raval, Emilie Ringe, Günther Rupprechter, Nicolas Spiesshofer, Anton Tamtögl, Daniela Täuber, Martin Thämer, Caleb Todd, Bert M Weckhuysen, Wolf Widdra, Tao Yang

Research output: Contribution to journal › Article › Academic

Original language	English
Pages (from-to)	319-347
Number of pages	29
Journal	Faraday Discussions
Volume	265
Early online date	31 Jul 2026
DOIs	https://doi.org/10.1039/d6fd90014c
Publication status	Published - Aug 2026

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Arul, R., Backus, E. H. G., Baddeley, C., Borguet, E., Box, C. L., Chikkaraddy, R., Cimas, Á., Cuesta, A., Davies, P. R., Donaldson, P. M., Fellows, A. P., Ferri, D., Frontiera, R. R., Gaigeot, M.-P., Gardner, A. M., Gómez-Marín, A. M., Heiner, Z., Hertl, N., Hill, N. J. D., ... Yang, T. (2026). The surface in silico: general discussion. Faraday Discussions, 265, 319-347. https://doi.org/10.1039/d6fd90014c

@article{871534cd256240ca8b421c00140f7e0d,

title = "The surface in silico: general discussion",

author = "Rakesh Arul and Backus, \{Ellen H G\} and Christopher Baddeley and Eric Borguet and Box, \{Connor L\} and Rohit Chikkaraddy and {\'A}lvaro Cimas and Angel Cuesta and Davies, \{Philip R\} and Donaldson, \{Paul M\} and Fellows, \{Alexander P\} and Davide Ferri and Frontiera, \{Renee R\} and Marie-Pierre Gaigeot and Gardner, \{Adrian M\} and G{\'o}mez-Mar{\'i}n, \{Ana M\} and Zsuzsanna Heiner and Nils Hertl and Hill, \{Nathaniel J D\} and Hore, \{Dennis K\} and Lasse Jensen and Sergio Kogikoski and David Lennon and Xia Li and Matthew Oakes and Ciar{\'a}n O'Brien and Petersen, \{Poul B\} and Simone Pezzotti and Rasmita Raval and Emilie Ringe and G{\"u}nther Rupprechter and Nicolas Spiesshofer and Anton Tamt{\"o}gl and Daniela T{\"a}uber and Martin Th{\"a}mer and Caleb Todd and Weckhuysen, \{Bert M\} and Wolf Widdra and Tao Yang",

year = "2026",

month = aug,

doi = "10.1039/d6fd90014c",

language = "English",

volume = "265",

pages = "319--347",

journal = "Faraday Discussions",

issn = "1359-6640",

publisher = "Royal Society of Chemistry",

}

Arul, R, Backus, EHG, Baddeley, C, Borguet, E, Box, CL, Chikkaraddy, R, Cimas, Á, Cuesta, A, Davies, PR, Donaldson, PM, Fellows, AP, Ferri, D, Frontiera, RR, Gaigeot, M-P, Gardner, AM, Gómez-Marín, AM, Heiner, Z, Hertl, N, Hill, NJD, Hore, DK, Jensen, L, Kogikoski, S, Lennon, D, Li, X, Oakes, M, O'Brien, C, Petersen, PB, Pezzotti, S, Raval, R, Ringe, E, Rupprechter, G, Spiesshofer, N, Tamtögl, A, Täuber, D, Thämer, M, Todd, C, Weckhuysen, BM, Widdra, W & Yang, T 2026, 'The surface in silico: general discussion', Faraday Discussions, vol. 265, pp. 319-347. https://doi.org/10.1039/d6fd90014c

TY - JOUR

T1 - The surface in silico

T2 - general discussion

AU - Arul, Rakesh

AU - Backus, Ellen H G

AU - Baddeley, Christopher

AU - Borguet, Eric

AU - Box, Connor L

AU - Chikkaraddy, Rohit

AU - Cimas, Álvaro

AU - Cuesta, Angel

AU - Davies, Philip R

AU - Donaldson, Paul M

AU - Fellows, Alexander P

AU - Ferri, Davide

AU - Frontiera, Renee R

AU - Gaigeot, Marie-Pierre

AU - Gardner, Adrian M

AU - Gómez-Marín, Ana M

AU - Heiner, Zsuzsanna

AU - Hertl, Nils

AU - Hill, Nathaniel J D

AU - Hore, Dennis K

AU - Jensen, Lasse

AU - Kogikoski, Sergio

AU - Lennon, David

AU - Li, Xia

AU - Oakes, Matthew

AU - O'Brien, Ciarán

AU - Petersen, Poul B

AU - Pezzotti, Simone

AU - Raval, Rasmita

AU - Ringe, Emilie

AU - Rupprechter, Günther

AU - Spiesshofer, Nicolas

AU - Tamtögl, Anton

AU - Täuber, Daniela

AU - Thämer, Martin

AU - Todd, Caleb

AU - Weckhuysen, Bert M

AU - Widdra, Wolf

AU - Yang, Tao

PY - 2026/8

Y1 - 2026/8

U2 - 10.1039/d6fd90014c

DO - 10.1039/d6fd90014c

M3 - Article

C2 - 42533634

SN - 1359-6640

VL - 265

SP - 319

EP - 347

JO - Faraday Discussions

JF - Faraday Discussions

ER -