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I develop multiscale materials modelling algorithms and the software that implements them, with a particular focus on machine learning and data-driven approaches, and on quantifying the uncertainty in the output of electronic structure and atomistic models. I am also active in applying parameter-free modelling techniques to make quantitative predictions of "chemomechanical" materials failure processes where stress and chemistry are tightly coupled, e.g. near the tip of a propagating crack (left), where local bond-breaking chemistry is driven by long-range stress fields
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论文共 66 篇作者统计合作学者相似作者
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Lakshmi Shenoy, Christopher D. Woodgate,Julie B. Staunton,Albert P. Bartok,Charlotte S. Becquart,Christophe Domain,James R. Kermode
PHYSICAL REVIEW MATERIALSno. 3 (2024)
Petr Grigorev,Lucas Frérot, Fraser Birks,Adrien Gola,Jacek Golebiowski, Jan Grießer,Johannes L. Hörmann,Andreas Klemenz,Gianpietro Moras, Wolfram G. Nöhring, Jonas A. Oldenstaedt, Punit Patel,
J. Open Source Softw.no. 93 (2024)
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Elsevier eBookspp.208-216, (2024)
Journal of The Institution of Engineers (India): Series Dno. 2 (2023): 867-877
William C. Witt,Cas van der Oord,Elena Gelzinyte, Teemu Jarvinen, Andres Ross,James P. Darby, Cheuk Hin Ho, William J. Baldwin,Matthias Sachs,James Kermode,Noam Bernstein,Gabor Csanyi,
JOURNAL OF CHEMICAL PHYSICSno. 16 (2023)
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