Ralf Drautz - Search Results

Year	Number of Results
2004	1
2007	1
2011	1
2012	1
2013	2
2014	2
2015	2
2016	3
2017	1
2020	4
2023	1
2024	0

1

Atomic Cluster Expansion for Quantum-Accurate Large-Scale Simulations of Carbon.

Qamar M, Mrovec M, Lysogorskiy Y, Bochkarev A, Drautz R. Qamar M, et al. Among authors: drautz r. J Chem Theory Comput. 2023 Aug 8;19(15):5151-5167. doi: 10.1021/acs.jctc.2c01149. Epub 2023 Jun 22. J Chem Theory Comput. 2023. PMID: 37347981

2

Non-collinear magnetism with analytic Bond-Order Potentials.

Ford ME, Pettifor DG, Drautz R. Ford ME, et al. Among authors: drautz r. J Phys Condens Matter. 2015 Mar 4;27(8):086002. doi: 10.1088/0953-8984/27/8/086002. Epub 2015 Feb 9. J Phys Condens Matter. 2015. PMID: 25662953

3

Identification of a multi-dimensional reaction coordinate for crystal nucleation in Ni₃Al.

Liang Y, Díaz Leines G, Drautz R, Rogal J. Liang Y, et al. Among authors: drautz r. J Chem Phys. 2020 Jun 14;152(22):224504. doi: 10.1063/5.0010074. J Chem Phys. 2020. PMID: 32534529

4

Modelling the lattice dynamics in Si(x)Ge(1-x) alloys.

Katre A, Drautz R, Madsen GK. Katre A, et al. Among authors: drautz r. J Phys Condens Matter. 2013 Sep 11;25(36):365403. doi: 10.1088/0953-8984/25/36/365403. Epub 2013 Aug 13. J Phys Condens Matter. 2013. PMID: 23941815

5

Fast diffusion mechanism in Li₄P₂S₆ via a concerted process of interstitial Li ions.

Stamminger AR, Ziebarth B, Mrovec M, Hammerschmidt T, Drautz R. Stamminger AR, et al. Among authors: drautz r. RSC Adv. 2020 Mar 13;10(18):10715-10722. doi: 10.1039/d0ra00932f. eCollection 2020 Mar 11. RSC Adv. 2020. PMID: 35492947 Free PMC article.

6

Martensitic transformation between competing phases in Ti-Ta alloys: a solid-state nudged elastic band study.

Chakraborty T, Rogal J, Drautz R. Chakraborty T, et al. Among authors: drautz r. J Phys Condens Matter. 2015 Mar 25;27(11):115401. doi: 10.1088/0953-8984/27/11/115401. Epub 2015 Mar 4. J Phys Condens Matter. 2015. PMID: 25738922

7

Experimental and Theoretical Investigation on Phase Formation and Mechanical Properties in Cr-Co-Ni Alloys Processed Using a Novel Thin-Film Quenching Technique.

Naujoks D, Schneider M, Salomon S, Pfetzing-Micklich J, Subramanyam APA, Hammerschmidt T, Drautz R, Frenzel J, Kostka A, Eggeler G, Laplanche G, Ludwig A. Naujoks D, et al. Among authors: drautz r. ACS Comb Sci. 2020 May 11;22(5):232-247. doi: 10.1021/acscombsci.9b00170. Epub 2020 Apr 28. ACS Comb Sci. 2020. PMID: 32289226

8

Vacancy mobility and interaction with transition metal solutes in Ni.

Schuwalow S, Rogal J, Drautz R. Schuwalow S, et al. Among authors: drautz r. J Phys Condens Matter. 2014 Dec 3;26(48):485014. doi: 10.1088/0953-8984/26/48/485014. J Phys Condens Matter. 2014. PMID: 25388216

9

Thermodynamic and kinetic solid-liquid interface properties from transition path sampling.

Şopu D, Rogal J, Drautz R. Şopu D, et al. Among authors: drautz r. J Chem Phys. 2016 Dec 28;145(24):244703. doi: 10.1063/1.4972583. J Chem Phys. 2016. PMID: 28049301

10

High throughput density functional investigations of the stability, electronic structure and thermoelectric properties of binary silicides.

Opahle I, Madsen GK, Drautz R. Opahle I, et al. Among authors: drautz r. Phys Chem Chem Phys. 2012 Dec 21;14(47):16197-202. doi: 10.1039/c2cp41826f. Epub 2012 Sep 20. Phys Chem Chem Phys. 2012. PMID: 22996318

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