Erlebach A - Search Results

1

A machine learning approach for dynamical modelling of Al distributions in zeolites via²³Na/²⁷Al solid-state NMR.

Lei C, Bornes C, Bengtsson O, Erlebach A, Slater B, Grajciar L, Heard CJ. Lei C, et al. Among authors: erlebach a. Faraday Discuss. 2025 Jan 8;255(0):46-71. doi: 10.1039/d4fd00100a. Faraday Discuss. 2025. PMID: 39382089

2

A reactive neural network framework for water-loaded acidic zeolites.

Erlebach A, Šípka M, Saha I, Nachtigall P, Heard CJ, Grajciar L. Erlebach A, et al. Nat Commun. 2024 May 17;15(1):4215. doi: 10.1038/s41467-024-48609-2. Nat Commun. 2024. PMID: 38760371 Free PMC article.

3

Migration of zeolite-encapsulated subnanometre platinum clusters via reactive neural network potentials.

Heard CJ, Grajciar L, Erlebach A. Heard CJ, et al. Among authors: erlebach a. Nanoscale. 2024 Apr 25;16(16):8108-8118. doi: 10.1039/d4nr00017j. Nanoscale. 2024. PMID: 38567421

4

Correction: The need for operando modelling of ²⁷Al NMR in zeolites: the effect of temperature, topology and water.

Lei C, Erlebach A, Brivio F, Grajciar L, Tošner Z, Heard CJ, Nachtigall P. Lei C, et al. Among authors: erlebach a. Chem Sci. 2023 Nov 22;14(47):13987. doi: 10.1039/d3sc90195e. eCollection 2023 Dec 6. Chem Sci. 2023. PMID: 38075654 Free PMC article.

5

The need for operando modelling of ²⁷Al NMR in zeolites: the effect of temperature, topology and water.

Lei C, Erlebach A, Brivio F, Grajciar L, Tošner Z, Heard CJ, Nachtigall P. Lei C, et al. Among authors: erlebach a. Chem Sci. 2023 Aug 3;14(34):9101-9113. doi: 10.1039/d3sc02492j. eCollection 2023 Aug 30. Chem Sci. 2023. PMID: 37655014 Free PMC article.

6

Constructing Collective Variables Using Invariant Learned Representations.

Šípka M, Erlebach A, Grajciar L. Šípka M, et al. Among authors: erlebach a. J Chem Theory Comput. 2023 Feb 14;19(3):887-901. doi: 10.1021/acs.jctc.2c00729. Epub 2023 Jan 25. J Chem Theory Comput. 2023. PMID: 36696574 Free PMC article.

7

Phase stability determination of negative thermal expansion silicates by theory and experiment.

Erlebach A, Belhadj Hassine G, Thieme C, Thieme K, Rüssel C, Sierka M. Erlebach A, et al. Phys Chem Chem Phys. 2021 Nov 24;23(45):25533-25541. doi: 10.1039/d1cp03862a. Phys Chem Chem Phys. 2021. PMID: 34779448

8

The Structure of Gd³⁺-Doped Li₂O and K₂O Containing Aluminosilicate Glasses from Molecular Dynamics Simulations.

Zekri M, Herrmann A, Erlebach A, Damak K, Rüssel C, Sierka M, Maâlej R. Zekri M, et al. Among authors: erlebach a. Materials (Basel). 2021 Jun 12;14(12):3265. doi: 10.3390/ma14123265. Materials (Basel). 2021. PMID: 34204847 Free PMC article.

9

Thermomechanical properties of zero thermal expansion materials from theory and experiments.

Erlebach A , Thieme C , Müller C , Hoffmann S , Höche T , Rüssel C , Sierka M . Erlebach A , et al. Phys Chem Chem Phys. 2020 Sep 7;22(33):18518-18525. doi: 10.1039/d0cp02975k. Epub 2020 Aug 11. Phys Chem Chem Phys. 2020. PMID: 32780039

10

A systematic scorecard-based approach to site assessment in preparation for Lassa fever vaccine clinical trials in affected countries.

Salami K, Imbault N, Erlebach A, Urban J, Zoglowek M, Tornieporth NG. Salami K, et al. Among authors: erlebach a. Pilot Feasibility Stud. 2020 Feb 13;6:24. doi: 10.1186/s40814-020-00567-4. eCollection 2020. Pilot Feasibility Stud. 2020. PMID: 32082610 Free PMC article.

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