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Shared metadata for data-centric materials science.
Ghiringhelli LM, Baldauf C, Bereau T, Brockhauser S, Carbogno C, Chamanara J, Cozzini S, Curtarolo S, Draxl C, Dwaraknath S, Fekete Á, Kermode J, Koch CT, Kühbach M, Ladines AN, Lambrix P, Himmer MO, Levchenko SV, Oliveira M, Michalchuk A, Miller RE, Onat B, Pavone P, Pizzi G, Regler B, Rignanese GM, Schaarschmidt J, Scheidgen M, Schneidewind A, Sheveleva T, Su C, Usvyat D, Valsson O, Wöll C, Scheffler M. Ghiringhelli LM, et al. Among authors: michalchuk a. Sci Data. 2023 Sep 14;10(1):626. doi: 10.1038/s41597-023-02501-8. Sci Data. 2023. PMID: 37709811 Free PMC article.
An atomistic mechanism for elasto-plastic bending in molecular crystals.
Bhattacharya B, Michalchuk AAL, Silbernagl D, Yasuda N, Feiler T, Sturm H, Emmerling F. Bhattacharya B, et al. Among authors: michalchuk aal. Chem Sci. 2023 Feb 13;14(13):3441-3450. doi: 10.1039/d2sc06470g. eCollection 2023 Mar 29. Chem Sci. 2023. PMID: 37006676 Free PMC article.
Is the impact sensitivity of RDX polymorph dependent?
Christopher IL, Pulham CR, Michalchuk AAL, Morrison CA. Christopher IL, et al. Among authors: michalchuk aal. J Chem Phys. 2023 Mar 28;158(12):124115. doi: 10.1063/5.0145259. J Chem Phys. 2023. PMID: 37003752
Kinetics and basic understanding: general discussion.
Angerhofer A, Auvray T, Balema V, Baláž M, Batteas JD, Blair RG, Boldyreva E, Bolm C, Borchardt L, Borchers TH, Braunschweig AB, Browne DL, Carpick RW, Ciaccia M, Craig S, Emmerling F, Ferguson M, Fiore C, Friščić T, Grätz S, Halasz I, Hamzehpoor E, Ito H, James S, Kim JG, Lamaty F, Lampronti GI, Laurencin D, Leitch J, Lu E, Lukin S, Mack J, Maini L, Martini A, Mazzeo PP, Michalchuk AAL, Mittelette S, Mohamed S, Moores A, Mortera-Carbonell AJ, Nagapudi K, Niidu A, Puccetti F, Stahorský M, Vugrin L. Angerhofer A, et al. Among authors: michalchuk aal. Faraday Discuss. 2023 Jan 5;241(0):306-340. doi: 10.1039/d2fd90082c. Faraday Discuss. 2023. PMID: 36519575 No abstract available.
39 results