Csányi G - Search Results

1

¹⁷O NMR Spectroscopy Reveals CO₂ Speciation and Dynamics in Hydroxide-based Carbon Capture Materials.

Rhodes BJ, Schaaf LL, Zick ME, Pugh SM, Hilliard JS, Sharma S, Wade CR, Milner PJ, Csányi G, Forse AC. Rhodes BJ, et al. Among authors: csanyi g. Chemphyschem. 2024 Nov 20:e202400941. doi: 10.1002/cphc.202400941. Online ahead of print. Chemphyschem. 2024. PMID: 39565330

2

Dynamic catalyst restructuring during carbon nanotube growth.

Moseler M, Cervantes-Sodi F, Hofmann S, Csányi G, Ferrari AC. Moseler M, et al. Among authors: csanyi g. ACS Nano. 2010 Dec 28;4(12):7587-95. doi: 10.1021/nn102118y. Epub 2010 Nov 9. ACS Nano. 2010. PMID: 21062086

3

Nanomechanical investigation of Mo6S9-x Ix nanowire bundles.

Kis A, Csanyi G, Vrbanic D, Mrzel A, Mihailovic D, Kulik A, Forró L. Kis A, et al. Among authors: csanyi g. Small. 2007 Sep;3(9):1544-8. doi: 10.1002/smll.200700164. Small. 2007. PMID: 17705317 No abstract available.

4

Machine learning in chemical reaction space.

Stocker S, Csányi G, Reuter K, Margraf JT. Stocker S, et al. Among authors: csanyi g. Nat Commun. 2020 Oct 30;11(1):5505. doi: 10.1038/s41467-020-19267-x. Nat Commun. 2020. PMID: 33127879 Free PMC article.

5

QM/MM simulation of liquid water with an adaptive quantum region.

Bernstein N, Várnai C, Solt I, Winfield SA, Payne MC, Simon I, Fuxreiter M, Csányi G. Bernstein N, et al. Among authors: csanyi g. Phys Chem Chem Phys. 2012 Jan 14;14(2):646-56. doi: 10.1039/c1cp22600b. Epub 2011 Nov 16. Phys Chem Chem Phys. 2012. PMID: 22089416

6

Linear Atomic Cluster Expansion Force Fields for Organic Molecules: Beyond RMSE.

Kovács DP, Oord CV, Kucera J, Allen AEA, Cole DJ, Ortner C, Csányi G. Kovács DP, et al. Among authors: csanyi g. J Chem Theory Comput. 2021 Dec 14;17(12):7696-7711. doi: 10.1021/acs.jctc.1c00647. Epub 2021 Nov 4. J Chem Theory Comput. 2021. PMID: 34735161 Free PMC article.

7

Extracting Crystal Chemistry from Amorphous Carbon Structures.

Deringer VL, Csányi G, Proserpio DM. Deringer VL, et al. Among authors: csanyi g. Chemphyschem. 2017 Apr 19;18(8):873-877. doi: 10.1002/cphc.201700151. Epub 2017 Mar 8. Chemphyschem. 2017. PMID: 28271606 Free PMC article.

8

First-principles energetics of water clusters and ice: a many-body analysis.

Gillan MJ, Alfè D, Bartók AP, Csányi G. Gillan MJ, et al. Among authors: csanyi g. J Chem Phys. 2013 Dec 28;139(24):244504. doi: 10.1063/1.4852182. J Chem Phys. 2013. PMID: 24387379

9

Gaussian approximation potential modeling of lithium intercalation in carbon nanostructures.

Fujikake S, Deringer VL, Lee TH, Krynski M, Elliott SR, Csányi G. Fujikake S, et al. Among authors: csanyi g. J Chem Phys. 2018 Jun 28;148(24):241714. doi: 10.1063/1.5016317. J Chem Phys. 2018. PMID: 29960342 Free article.

10

Modeling the Phase-Change Memory Material, Ge₂Sb₂Te₅, with a Machine-Learned Interatomic Potential.

Mocanu FC, Konstantinou K, Lee TH, Bernstein N, Deringer VL, Csányi G, Elliott SR. Mocanu FC, et al. Among authors: csanyi g. J Phys Chem B. 2018 Sep 27;122(38):8998-9006. doi: 10.1021/acs.jpcb.8b06476. Epub 2018 Sep 14. J Phys Chem B. 2018. PMID: 30173522

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