Madsen GKH - Search Results

1

Quantitative Predictions of the Thermal Conductivity in Transition Metal Dichalcogenides: Impact of Point Defects in MoS₂ and WS₂ Monolayers.

Mahendran S, Carrete J, Isacsson A, Madsen GKH, Erhart P. Mahendran S, et al. Among authors: madsen gkh. J Phys Chem C Nanomater Interfaces. 2024 Jan 18;128(4):1709-1716. doi: 10.1021/acs.jpcc.3c06820. eCollection 2024 Feb 1. J Phys Chem C Nanomater Interfaces. 2024. PMID: 38322774 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

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

4

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

5

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

6

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

7

A Differentiable Neural-Network Force Field for Ionic Liquids.

Montes-Campos H, Carrete J, Bichelmaier S, Varela LM, Madsen GKH. Montes-Campos H, et al. Among authors: madsen gkh. J Chem Inf Model. 2022 Jan 10;62(1):88-101. doi: 10.1021/acs.jcim.1c01380. Epub 2021 Dec 23. J Chem Inf Model. 2022. PMID: 34941253 Free PMC article.

8

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

9

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

10

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.

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