Discovering structure-property correlations: general discussion

Andy S. Anker; Alán Aspuru-Guzik; Chiheb Ben Mahmoud; Sophie Bennett; Ksenia R. Briling; Arya Changiarath; Sanggyu Chong; Christopher M. Collins; Andrew I. Cooper; Daniel Crusius; Kevion K. Darmawan; Basita Das; Nicholas David; Graeme M. Day; Volker L. Deringer; Fernanda Duarte; Annabel Eardley-Brunt; Matthew L. Evans; Rob Evans; Ian Fairlamb; Barnabas A. Franklin; Jeremy Frey; Alex M. Ganose; Mark Goulding; Roohollah Hafizi; Matthijs Hakkennes; Niamh Hickey; Gillian James; Kim E. Jelfs; Adarsh V. Kalikadien; Venkat Kapil; Zsuzsanna Koczor-Benda; Ferdinand Krammer; Heather J. Kulik; Vishank Kumar; Christian Kuttner; Erwin Lam; Yuchen Lou; Eltjo Mante; Jennie Martin; Austin M. Mroz; Tahereh Nematiaram; Charles W. P. Pare; Sarbani Patra; James Proudfoot; Branko Ruscic; Matthew R. Ryder; Ken Sakaushi; Jörg Saßmannshausen; Brett M. Savoie; Nadine Schneider; Philippe Schwaller; Bastian Bjerkem Skjelstad; Wenhao Sun; Filip T. Szczypiński; Steven Torrisi; Katharina Ueltzen; Shubham Vishnoi; Aron Walsh; Xinwei Wang; Chloe Wilson; Ruiqi Wu; Jakob Zeitler

doi:10.1039/d4fd90062f

Discovering structure-property correlations: general discussion

Andy S. Anker, Alán Aspuru-Guzik, Chiheb Ben Mahmoud, Sophie Bennett, Ksenia R. Briling, Arya Changiarath, Sanggyu Chong, Christopher M. Collins, Andrew I. Cooper, Daniel Crusius, Kevion K. Darmawan, Basita Das, Nicholas David, Graeme M. Day, Volker L. Deringer, Fernanda Duarte, Annabel Eardley-Brunt, Matthew L. Evans, Rob Evans, Ian FairlambBarnabas A. Franklin, Jeremy Frey, Alex M. Ganose, Mark Goulding, Roohollah Hafizi, Matthijs Hakkennes, Niamh Hickey, Gillian James, Kim E. Jelfs, Adarsh V. Kalikadien, Venkat Kapil, Zsuzsanna Koczor-Benda, Ferdinand Krammer, Heather J. Kulik, Vishank Kumar, Christian Kuttner, Erwin Lam, Yuchen Lou, Eltjo Mante, Jennie Martin, Austin M. Mroz, Tahereh Nematiaram, Charles W. P. Pare, Sarbani Patra, James Proudfoot, Branko Ruscic, Matthew R. Ryder, Ken Sakaushi, Jörg Saßmannshausen, Brett M. Savoie, Nadine Schneider, Philippe Schwaller, Bastian Bjerkem Skjelstad, Wenhao Sun, Filip T. Szczypiński, Steven Torrisi, Katharina Ueltzen, Shubham Vishnoi, Aron Walsh, Xinwei Wang, Chloe Wilson, Ruiqi Wu, Jakob Zeitler

Pure And Applied Chemistry

Research output: Contribution to journal › Comment/debate

1 Citation (Scopus)

Original language	English
Pages (from-to)	373-412
Number of pages	40
Journal	Faraday Discussions
Volume	256
Early online date	13 Dec 2024
DOIs	https://doi.org/10.1039/d4fd90062f
Publication status	Published - Jan 2025

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10.1039/d4fd90062f

Cite this

Anker, A. S., Aspuru-Guzik, A., Ben Mahmoud, C., Bennett, S., Briling, K. R., Changiarath, A., Chong, S., Collins, C. M., Cooper, A. I., Crusius, D., Darmawan, K. K., Das, B., David, N., Day, G. M., Deringer, V. L., Duarte, F., Eardley-Brunt, A., Evans, M. L., Evans, R., ... Zeitler, J. (2025). Discovering structure-property correlations: general discussion. Faraday Discussions, 256, 373-412. https://doi.org/10.1039/d4fd90062f

@article{ed418e37b1d044e2a9c628b61048a00c,

title = "Discovering structure-property correlations: general discussion",

author = "Anker, {Andy S.} and Al{\'a}n Aspuru-Guzik and {Ben Mahmoud}, Chiheb and Sophie Bennett and Briling, {Ksenia R.} and Arya Changiarath and Sanggyu Chong and Collins, {Christopher M.} and Cooper, {Andrew I.} and Daniel Crusius and Darmawan, {Kevion K.} and Basita Das and Nicholas David and Day, {Graeme M.} and Deringer, {Volker L.} and Fernanda Duarte and Annabel Eardley-Brunt and Evans, {Matthew L.} and Rob Evans and Ian Fairlamb and Franklin, {Barnabas A.} and Jeremy Frey and Ganose, {Alex M.} and Mark Goulding and Roohollah Hafizi and Matthijs Hakkennes and Niamh Hickey and Gillian James and Jelfs, {Kim E.} and Kalikadien, {Adarsh V.} and Venkat Kapil and Zsuzsanna Koczor-Benda and Ferdinand Krammer and Kulik, {Heather J.} and Vishank Kumar and Christian Kuttner and Erwin Lam and Yuchen Lou and Eltjo Mante and Jennie Martin and Mroz, {Austin M.} and Tahereh Nematiaram and Pare, {Charles W. P.} and Sarbani Patra and James Proudfoot and Branko Ruscic and Ryder, {Matthew R.} and Ken Sakaushi and J{\"o}rg Sa{\ss}mannshausen and Savoie, {Brett M.} and Nadine Schneider and Philippe Schwaller and Skjelstad, {Bastian Bjerkem} and Wenhao Sun and Szczypi{\'n}ski, {Filip T.} and Steven Torrisi and Katharina Ueltzen and Shubham Vishnoi and Aron Walsh and Xinwei Wang and Chloe Wilson and Ruiqi Wu and Jakob Zeitler",

year = "2025",

month = jan,

doi = "10.1039/d4fd90062f",

language = "English",

volume = "256",

pages = "373--412",

journal = "Faraday Discussions",

issn = "1359-6640",

publisher = "Royal Society of Chemistry",

}

Anker, AS, Aspuru-Guzik, A, Ben Mahmoud, C, Bennett, S, Briling, KR, Changiarath, A, Chong, S, Collins, CM, Cooper, AI, Crusius, D, Darmawan, KK, Das, B, David, N, Day, GM, Deringer, VL, Duarte, F, Eardley-Brunt, A, Evans, ML, Evans, R, Fairlamb, I, Franklin, BA, Frey, J, Ganose, AM, Goulding, M, Hafizi, R, Hakkennes, M, Hickey, N, James, G, Jelfs, KE, Kalikadien, AV, Kapil, V, Koczor-Benda, Z, Krammer, F, Kulik, HJ, Kumar, V, Kuttner, C, Lam, E, Lou, Y, Mante, E, Martin, J, Mroz, AM, Nematiaram, T, Pare, CWP, Patra, S, Proudfoot, J, Ruscic, B, Ryder, MR, Sakaushi, K, Saßmannshausen, J, Savoie, BM, Schneider, N, Schwaller, P, Skjelstad, BB, Sun, W, Szczypiński, FT, Torrisi, S, Ueltzen, K, Vishnoi, S, Walsh, A, Wang, X, Wilson, C, Wu, R & Zeitler, J 2025, 'Discovering structure-property correlations: general discussion', Faraday Discussions, vol. 256, pp. 373-412. https://doi.org/10.1039/d4fd90062f

TY - JOUR

T1 - Discovering structure-property correlations

T2 - general discussion

AU - Anker, Andy S.

AU - Aspuru-Guzik, Alán

AU - Ben Mahmoud, Chiheb

AU - Bennett, Sophie

AU - Briling, Ksenia R.

AU - Changiarath, Arya

AU - Chong, Sanggyu

AU - Collins, Christopher M.

AU - Cooper, Andrew I.

AU - Crusius, Daniel

AU - Darmawan, Kevion K.

AU - Das, Basita

AU - David, Nicholas

AU - Day, Graeme M.

AU - Deringer, Volker L.

AU - Duarte, Fernanda

AU - Eardley-Brunt, Annabel

AU - Evans, Matthew L.

AU - Evans, Rob

AU - Fairlamb, Ian

AU - Franklin, Barnabas A.

AU - Frey, Jeremy

AU - Ganose, Alex M.

AU - Goulding, Mark

AU - Hafizi, Roohollah

AU - Hakkennes, Matthijs

AU - Hickey, Niamh

AU - James, Gillian

AU - Jelfs, Kim E.

AU - Kalikadien, Adarsh V.

AU - Kapil, Venkat

AU - Koczor-Benda, Zsuzsanna

AU - Krammer, Ferdinand

AU - Kulik, Heather J.

AU - Kumar, Vishank

AU - Kuttner, Christian

AU - Lam, Erwin

AU - Lou, Yuchen

AU - Mante, Eltjo

AU - Martin, Jennie

AU - Mroz, Austin M.

AU - Nematiaram, Tahereh

AU - Pare, Charles W. P.

AU - Patra, Sarbani

AU - Proudfoot, James

AU - Ruscic, Branko

AU - Ryder, Matthew R.

AU - Sakaushi, Ken

AU - Saßmannshausen, Jörg

AU - Savoie, Brett M.

AU - Schneider, Nadine

AU - Schwaller, Philippe

AU - Skjelstad, Bastian Bjerkem

AU - Sun, Wenhao

AU - Szczypiński, Filip T.

AU - Torrisi, Steven

AU - Ueltzen, Katharina

AU - Vishnoi, Shubham

AU - Walsh, Aron

AU - Wang, Xinwei

AU - Wilson, Chloe

AU - Wu, Ruiqi

AU - Zeitler, Jakob

PY - 2025/1

Y1 - 2025/1

U2 - 10.1039/d4fd90062f

DO - 10.1039/d4fd90062f

M3 - Comment/debate

SN - 1359-6640

VL - 256

SP - 373

EP - 412

JO - Faraday Discussions

JF - Faraday Discussions

ER -