Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation

Search Page

Filters

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Additional filters

Article Language

Species

Sex

Age

Other

Search Results

51 results

Filters applied: . Clear all
Results are displayed in a computed author sort order. The Publication Date timeline is not available.
Page 1
Discovering trends in big data: general discussion.
Albornoz RV, Antypov D, Blanke G, Borges I Jr, Marulanda Bran A, Cheung J, Collins CM, David N, Day GM, Deringer VL, Draxl C, Eardley-Brunt A, Evans ML, Fairlamb I, Fieseler K, Franklin BA, George J, Grundy J, Johal J, Kalikadien AV, Kapil V, Kotopanov L, Kumar V, Kuttner C, Lederbauer M, Ojeda-Porras AC, Pang J, Parkes M, Pemberton M, Ruscic B, Ryder MR, Sakaushi K, Saleh G, Savoie BM, Schwaller P, Skjelstad BB, Sun W, Taniguchi T, Taylor CR, Torrisi S, Vishnoi S, Walsh A, Wu R. Albornoz RV, et al. Among authors: draxl c. Faraday Discuss. 2024 Dec 18. doi: 10.1039/d4fd90063d. Online ahead of print. Faraday Discuss. 2024. PMID: 39692143 No abstract available.
Discovering chemical structure: general discussion.
Aspuru-Guzik A, Bechtel T, Bernales V, Biggin PC, Bigi F, Borges I Jr, Briling KR, Cheung J, Collins CM, Darmawan KK, David N, Day GM, Deringer VL, Draxl C, Dyer M, Eardley-Brunt A, Evans R, Fairlamb I, Franklin BA, George J, Goulding M, Grundy J, Hafizi R, Hakkennes M, Hickey N, James G, Juraskova V, Kalikadien AV, Kapil V, Kulik HJ, Kumar V, Kuttner C, Lederbauer M, Lou Y, Mante E, Marsh L, Martin J, Middleton C, Nematiaram T, Pare CWP, Pasca B, Pickard CJ, Ruscic B, Ryder MR, Savoie BM, Sun W, Szczypiński FT, Taniguchi T, Torrisi S, Vishnoi S, Walsh A, Wang S. Aspuru-Guzik A, et al. Among authors: draxl c. Faraday Discuss. 2024 Dec 12. doi: 10.1039/d4fd90061h. Online ahead of print. Faraday Discuss. 2024. PMID: 39665275 No abstract available.
How big is big data?
Speckhard D, Bechtel T, Ghiringhelli LM, Kuban M, Rigamonti S, Draxl C. Speckhard D, et al. Among authors: draxl c. Faraday Discuss. 2024 Sep 24. doi: 10.1039/d4fd00102h. Online ahead of print. Faraday Discuss. 2024. PMID: 39315406
Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange.
Evans ML, Bergsma J, Merkys A, Andersen CW, Andersson OB, Beltrán D, Blokhin E, Boland TM, Castañeda Balderas R, Choudhary K, Díaz Díaz A, Domínguez García R, Eckert H, Eimre K, Fuentes Montero ME, Krajewski AM, Mortensen JJ, Nápoles Duarte JM, Pietryga J, Qi J, Trejo Carrillo FJ, Vaitkus A, Yu J, Zettel A, de Castro PB, Carlsson J, Cerqueira TFT, Divilov S, Hajiyani H, Hanke F, Jose K, Oses C, Riebesell J, Schmidt J, Winston D, Xie C, Yang X, Bonella S, Botti S, Curtarolo S, Draxl C, Fuentes Cobas LE, Hospital A, Liu ZK, Marques MAL, Marzari N, Morris AJ, Ong SP, Orozco M, Persson KA, Thygesen KS, Wolverton C, Scheidgen M, Toher C, Conduit GJ, Pizzi G, Gražulis S, Rignanese GM, Armiento R. Evans ML, et al. Among authors: draxl c. Digit Discov. 2024 Apr 18;3(8):1509-1533. doi: 10.1039/d4dd00039k. eCollection 2024 Aug 7. Digit Discov. 2024. PMID: 39118978 Free PMC article.
Right On Time: Ultrafast Charge Separation Before Hybrid Exciton Formation.
Gierster L, Turkina O, Deinert JC, Vempati S, Baeta E, Garmshausen Y, Hecht S, Draxl C, Stähler J. Gierster L, et al. Among authors: draxl c. Adv Sci (Weinh). 2024 Aug;11(31):e2403765. doi: 10.1002/advs.202403765. Epub 2024 Jun 14. Adv Sci (Weinh). 2024. PMID: 38874072 Free PMC article.
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: draxl c. Sci Data. 2023 Sep 14;10(1):626. doi: 10.1038/s41597-023-02501-8. Sci Data. 2023. PMID: 37709811 Free PMC article.
51 results