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Volker L. Deringer

university of oxford

53H-index
284Paper Count
2.0WCitation Count
Published Papers 116
Publication Date
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Regularity priors for the linear atomic cluster expansion
errmachine learning: science and technology
IF0
err2026-04-17
err0
errOAAI
errJames P Darby; Joe D Morrow; Albert P Bartók; Volker L Deringer; Gábor Csányi; Christoph Ortner
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Li-P-S Electrolyte Materials as a Benchmark for Machine-Learned Interatomic Potentials
errJournal of Chemical Theory and Computation
IF5.5
err2026-03-01
err0
errOAAI
errFragapane, Natascia L.; Deringer, Volker L.
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Medium-Range Structural Order in Amorphous Arsenic
errJournal of the American Chemical Society
IF15.6
err2026-02-26
err0
errOAAI
errYuanbin Liu; Yuxing Zhou; Richard Ademuwagun; Luc Walterbos; Janine George; Stephen R. Elliott; Volker L. Deringer
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The Zintl-Klemm Concept in the Amorphous State: A Case Study of Na-P Battery Anodes
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2025-12-01
err0
errOAAI
errWu, Litong; Deringer, Volker L.
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errSave
Assessing zero-shot generalisation behaviour in graph-neural-network interatomic potentials
errDigital Discovery
IF5.6
err2025-09-30
err0
errOAAI
errChiheb Ben Mahmoud; Zakariya El-Machachi; Krystian A. Gierczak; John L. A. Gardner; Volker L. Deringer
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Machine-learning-driven modelling of amorphous and polycrystalline BaZrS3
errJ. Mater. Chem. A
IF9.5
err2025-09-04
err0
errOAAI
errLaura-Bianca Pașca; Yuanbin Liu; Andy S. Anker; Ludmilla Steier; Volker L. Deringer
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An automated framework for exploring and learning potential-energy surfaces
errNature Communications
IF15.7
err2025-08-18
err0
errOAAI
errYuanbin Liu; Joe D. Morrow; Christina Ertural; Natascia L. Fragapane; John L. A. Gardner; Aakash A. Naik; Yuxing Zhou; Janine George; Volker L. Deringer
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Amorphous chalcogenides in two dimensions
errNature Materials
IF38.5
err2025-07-30
err0
PREAI
errVolker L. Deringer
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Mechanical properties of graphene oxide from machine-learning-driven simulations
errChem. Commun.
IF4.2
err2025-07-30
err0
errOAAI
errZakariya El-Machachi; Bowen Cheng; Volker L. Deringer
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errSave
Signatures of paracrystallinity in amorphous silicon from machine-learning-driven molecular dynamics
errNATURE COMMUNICATIONS
IF15.7
err2025-03-10
err1
errOAAI
errRosset, Louise A. M.; Drabold, David A.; Deringer, Volker L.
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An experimental data library for the full CsPb(ClxBr1-x)3 compositional series
errCHEMICAL COMMUNICATIONS
IF4.2
err2025-03-01
err0
errOAAI
errMastej, Kinga O.; Batnaran, Bodoo; Reponen, Antti-Pekka M.; Vanorman, Zachary A.; Banger, Kal; Hayward, Michael A.; Deringer, Volker L.; Feldmann, Sascha
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Discovering synthesis targets: general discussion
errFARADAY DISCUSSIONS
IF3.1
err2025-01-01
err0
PREAI
errAnker, Andy S.; Aspuru-Guzik, Alan; Bechtel, Tim; Bigi, Filippo; Briling, Ksenia R.; Das, Basita; David, Nicholas; Day, Graeme M.; Deringer, Volker L.; Dyer, Matthew; Eardley-Brunt, Annabel; Evans, Matthew L.; Evans, Rob; Franklin, Barnabas A.; Ganose, Alex M.; George, Janine; Goulding, Mark; Hickey, Niamh; James, Gillian; Kalikadien, Adarsh V.; Kapil, Venkat; Kulik, Heather J.; Kumar, Vishank; Kuttner, Christian; Lam, Erwin; Lederbauer, Magdalena; Lou, Yuchen; Martin, Jennie; Bran, Andres Marulanda; Mathea, Miriam; Pickard, Chris J.; Ruscic, Branko; Ryder, Matthew R.; Gil, Victor Sabanza; Schwaller, Philippe; Segler, Marwin H. S.; Sun, Wenhao; Tanovic, Sara; Treyde, Wojtek; Walsh, Aron; Wu, Ruiqi
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Discovering chemical structure: general discussion
errFARADAY DISCUSSIONS
IF3.1
err2025-01-01
err0
PREAI
errAspuru-Guzik, Alan; Bechtel, Tim; Bernales, Varinia; Biggin, Philip C.; Bigi, Filippo; Borges Jr, Itamar; Briling, Ksenia R.; Cheung, Joshua; Collins, Christopher M.; Darmawan, Kevion K.; David, Nicholas; Day, Graeme M.; Deringer, Volker L.; Draxl, Claudia; Dyer, Matthew; Eardley-Brunt, Annabel; Evans, Rob; Fairlamb, Ian; Franklin, Barnabas A.; George, Janine; Goulding, Mark; Grundy, Joanna; Hafizi, Roohollah; Hakkennes, Matthijs; Hickey, Niamh; James, Gillian; Juraskova, Veronika; Kalikadien, Adarsh V.; Kapil, Venkat; Kulik, Heather J.; Kumar, Vishank; Kuttner, Christian; Lederbauer, Magdalena; Lou, Yuchen; Mante, Eltjo; Marsh, Liam; Martin, Jennie; Middleton, Clelia; Nematiaram, Tahereh; Pare, Charles W. P.; Pasca, Bianca; Pickard, Chris J.; Ruscic, Branko; Ryder, Matthew R.; Savoie, Brett M.; Sun, Wenhao; Szczypinski, Filip T.; Taniguchi, Takuya; Torrisi, Steven; Vishnoi, Shubham; Walsh, Aron; Wang, Shirui
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When can we trust structural models derived from pair distribution function measurements?
errFARADAY DISCUSSIONS
IF3.1
err2025-01-01
err0
errOAAI
errMaffettone, Phillip M.; Fletcher, William J. K.; Nicholas, Thomas C.; Deringer, Volker L.; Allison, Jane R.; Smith, Lorna J.; Goodwin, Andrew L.
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Discovering trends in big data: general discussion
errFARADAY DISCUSSIONS
IF3.1
err2025-01-01
err0
PREAI
errAlbornoz, Ricardo Valencia; Antypov, Dmytro; Blanke, Gerd; Borges Jr, Itamar; Bran, Andres Marulanda; Cheung, Joshua; Collins, Christopher M.; David, Nicholas; Day, Graeme M.; Deringer, Volker L.; Draxl, Claudia; Eardley-Brunt, Annabel; Evans, Matthew L.; Fairlamb, Ian; Fieseler, Kate; Franklin, Barnabas A.; George, Janine; Grundy, Joanna; Johal, Jay; Kalikadien, Adarsh V.; Kapil, Venkat; Kotopanov, Lyubomir; Kumar, Vishank; Kuttner, Christian; Lederbauer, Magdalena; Ojeda-Porras, Andrea Carolina; Pang, Jiayun; Parkes, Michael; Pemberton, Miles; Ruscic, Branko; Ryder, Matthew R.; Sakaushi, Ken; Saleh, Gabriele; Savoie, Brett M.; Schwaller, Philippe; Skjelstad, Bastian Bjerkem; Sun, Wenhao; Taniguchi, Takuya; Taylor, Christopher R.; Torrisi, Steven; Vishnoi, Shubham; Walsh, Aron; Wu, Ruiqi
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Discovering structure-property correlations: general discussion
errFARADAY DISCUSSIONS
IF3.1
err2025-01-01
err0
PREAI
errAnker, Andy S.; Aspuru-Guzik, Alan; Ben Mahmoud, Chiheb; Bennett, Sophie; Briling, Ksenia R.; Changiarath, Arya; Chong, Sanggyu; Collins, Christopher M.; Cooper, Andrew I.; Crusius, Daniel; Darmawan, Kevion K.; Das, Basita; David, Nicholas; Day, Graeme M.; Deringer, Volker L.; Duarte, Fernanda; Eardley-Brunt, Annabel; Evans, Matthew L.; Evans, Rob; Fairlamb, Ian; Franklin, Barnabas A.; Frey, Jeremy; Ganose, Alex M.; Goulding, Mark; Hafizi, Roohollah; Hakkennes, Matthijs; Hickey, Niamh; James, Gillian; Jelfs, Kim E.; Kalikadien, Adarsh V.; Kapil, Venkat; Koczor-Benda, Zsuzsanna; Krammer, Ferdinand; Kulik, Heather J.; Kumar, Vishank; Kuttner, Christian; Lam, Erwin; Lou, Yuchen; Mante, Eltjo; Martin, Jennie; Mroz, Austin M.; Nematiaram, Tahereh; Pare, Charles W. P.; Patra, Sarbani; Proudfoot, James; Ruscic, Branko; Ryder, Matthew R.; Sakaushi, Ken; Sassmannshausen, Joerg; Savoie, Brett M.; Schneider, Nadine; Schwaller, Philippe; Skjelstad, Bastian Bjerkem; Sun, Wenhao; Szczypinski, Filip T.; Torrisi, Steven; Ueltzen, Katharina; Vishnoi, Shubham; Walsh, Aron; Wang, Xinwei; Wilson, Chloe; Wu, Ruiqi; Zeitler, Jakob
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The amorphous state as a frontier in computational materials design
errNATURE REVIEWS MATERIALS
IF86.2
err2024-12-16
err0
PREAI
errLiu, Yuanbin; Madanchi, Ata; Anker, Andy S.; Simine, Lena; Deringer, Volker L.
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Accelerated First-Principles Exploration of Structure and Reactivity in Graphene Oxide
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2024-11-13
err1
errOAAI
errEl-Machachi, Zakariya; Frantzov, Damyan; Nijamudheen, A.; Zarrouk, Tigany; Caro, Miguel A.; Deringer, Volker L.
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Hyperparameter Optimization for Atomic Cluster Expansion Potentials
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-11-06
err0
errOAAI
errdu Toit, Daniel F. Thomas; Zhou, Yuxing; Deringer, Volker L.
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Data as the next challenge in atomistic machine learning
errNATURE COMPUTATIONAL SCIENCE
IF18.3
err2024-06-12
err3
PREAI
errBen Mahmoud, Chiheb; Gardner, John L. A.; Deringer, Volker L.
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Research Directions

No research directions
Co-authors
Cooperation Journals
A
Andrew I. Cooper
H-index: 134 · Papers: 833
C
Clare P. Grey
H-index: 132 · Papers: 1.2K
A
Aron Walsh
H-index: 126 · Papers: 984
E
E. Ma
H-index: 120 · Papers: 532
H
Hubert A. Gasteiger
H-index: 118 · Papers: 712
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