Madsen GKH - Search Results

1

Neural-network-backed evolutionary search for SrTiO₃(110) surface reconstructions.

Wanzenböck R, Arrigoni M, Bichelmaier S, Buchner F, Carrete J, Madsen GKH. Wanzenböck R, et al. Among authors: madsen gkh. Digit Discov. 2022 Aug 26;1(5):703-710. doi: 10.1039/d2dd00072e. eCollection 2022 Oct 10. Digit Discov. 2022. PMID: 36324606 Free PMC article.

2

Materials Screening for the Discovery of New Half-Heuslers: Machine Learning versus ab Initio Methods.

Legrain F, Carrete J, van Roekeghem A, Madsen GKH, Mingo N. Legrain F, et al. Among authors: madsen gkh. J Phys Chem B. 2018 Jan 18;122(2):625-632. doi: 10.1021/acs.jpcb.7b05296. Epub 2017 Aug 16. J Phys Chem B. 2018. PMID: 28742351

3

Exceptionally Strong Phonon Scattering by B Substitution in Cubic SiC.

Katre A, Carrete J, Dongre B, Madsen GKH, Mingo N. Katre A, et al. Among authors: madsen gkh. Phys Rev Lett. 2017 Aug 18;119(7):075902. doi: 10.1103/PhysRevLett.119.075902. Epub 2017 Aug 18. Phys Rev Lett. 2017. PMID: 28949692

4

Vibrational Properties of Metastable Polymorph Structures by Machine Learning.

Legrain F, van Roekeghem A, Curtarolo S, Carrete J, Madsen GKH, Mingo N. Legrain F, et al. Among authors: madsen gkh. J Chem Inf Model. 2018 Dec 24;58(12):2460-2466. doi: 10.1021/acs.jcim.8b00279. Epub 2018 Nov 6. J Chem Inf Model. 2018. PMID: 30351054

5

Phonon Scattering by Dislocations in GaN.

Wang T, Carrete J, Mingo N, Madsen GKH. Wang T, et al. Among authors: madsen gkh. ACS Appl Mater Interfaces. 2019 Feb 27;11(8):8175-8181. doi: 10.1021/acsami.8b17525. Epub 2019 Feb 12. ACS Appl Mater Interfaces. 2019. PMID: 30693763

6

Using nanotubes to study the phonon spectrum of two-dimensional materials.

Carrete J , Ngoc Tuoc V , Madsen GKH . Carrete J , et al. Among authors: madsen gkh. Phys Chem Chem Phys. 2019 Feb 27;21(9):5215-5223. doi: 10.1039/c9cp00052f. Phys Chem Chem Phys. 2019. PMID: 30775756

7

Phonon transport across crystal-phase interfaces and twin boundaries in semiconducting nanowires.

Carrete J , López-Suárez M , Raya-Moreno M , Bochkarev AS , Royo M , Madsen GKH , Cartoixà X , Mingo N , Rurali R . Carrete J , et al. Among authors: madsen gkh. Nanoscale. 2019 Aug 29;11(34):16007-16016. doi: 10.1039/c9nr05274g. Nanoscale. 2019. PMID: 31424472

8

A comparative first-principles investigation on the defect chemistry of TiO₂ anatase.

Arrigoni M, Madsen GKH. Arrigoni M, et al. Among authors: madsen gkh. J Chem Phys. 2020 Jan 31;152(4):044110. doi: 10.1063/1.5138902. J Chem Phys. 2020. PMID: 32007033

9

Ultrahigh Thermal Conductivity of θ-Phase Tantalum Nitride.

Kundu A, Yang X, Ma J, Feng T, Carrete J, Ruan X, Madsen GKH, Li W. Kundu A, et al. Among authors: madsen gkh. Phys Rev Lett. 2021 Mar 19;126(11):115901. doi: 10.1103/PhysRevLett.126.115901. Phys Rev Lett. 2021. PMID: 33798386

10

Phosphate-Templated Encapsulation of a {Co^II ₄ O₄ } Cubane in Germanotungstates as Carbon-Free Homogeneous Water Oxidation Photocatalysts.

Al-Sayed E, Nandan SP, Tanuhadi E, Giester G, Arrigoni M, Madsen GKH, Cherevan A, Eder D, Rompel A. Al-Sayed E, et al. Among authors: madsen gkh. ChemSusChem. 2021 Jun 21;14(12):2529-2536. doi: 10.1002/cssc.202100506. Epub 2021 May 11. ChemSusChem. 2021. PMID: 33835713 Free PMC article.

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