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17 Publications


2024 | Journal Article | IST-REx-ID: 15052
Cheng R, Zeng Z, Wang C, Ouyang N, Chen Y. 2024. Impact of strain-insensitive low-frequency phonon modes on lattice thermal transport in AxXB6-type perovskites. Physical Review B. 109(5), 054305.
View | DOI
 

2024 | Journal Article | IST-REx-ID: 15311 | OA
Zeng Z, Shen X, Cheng R, Perez O, Ouyang N, Fan Z, Lemoine P, Raveau B, Guilmeau E, Chen Y. 2024. Pushing thermal conductivity to its lower limit in crystals with simple structures. Nature Communications. 15(1), 3007.
[Published Version] View | Files available | DOI | arXiv
 

2023 | Journal Article | IST-REx-ID: 12702 | OA
Cheng B, Hamel S, Bethkenhagen M. 2023. Thermodynamics of diamond formation from hydrocarbon mixtures in planets. Nature Communications. 14, 1104.
[Published Version] View | Files available | DOI | WoS | PubMed | Europe PMC
 

2023 | Journal Article | IST-REx-ID: 12879 | OA
Chen K, Kunkel C, Cheng B, Reuter K, Margraf JT. 2023. Physics-inspired machine learning of localized intensive properties. Chemical Science.
[Published Version] View | Files available | DOI | WoS
 

2023 | Journal Article | IST-REx-ID: 12912 | OA
Schmid R, Cheng B. 2023. Computing chemical potentials of adsorbed or confined fluids. The Journal of Chemical Physics. 158(16), 161101.
[Published Version] View | Files available | DOI | WoS | PubMed | Europe PMC | arXiv
 

2023 | Journal Article | IST-REx-ID: 13039
French M, Bethkenhagen M, Ravasio A, Hernandez JA. 2023. Ab initio calculation of the reflectivity of molecular fluids under shock compression. Physical Review B. 107(13), 134109.
View | DOI | WoS
 

2023 | Journal Article | IST-REx-ID: 13231 | OA
Schörner M, Bethkenhagen M, Döppner T, Kraus D, Fletcher LB, Glenzer SH, Redmer R. 2023. X-ray Thomson scattering spectra from density functional theory molecular dynamics simulations based on a modified Chihara formula. Physical Review E. 107(6), 065207.
[Preprint] View | DOI | Download Preprint (ext.) | WoS | arXiv
 

2023 | Journal Article | IST-REx-ID: 13216 | OA
Bunting R, Wodaczek F, Torabi T, Cheng B. 2023. Reactivity of single-atom alloy nanoparticles: Modeling the dehydrogenation of propane. Journal of the American Chemical Society. 145(27), 14894–14902.
[Published Version] View | Files available | DOI | WoS | PubMed | Europe PMC
 

2023 | Journal Article | IST-REx-ID: 13118
Hernandez J-A, Bethkenhagen M, Ninet S, French M, Benuzzi-Mounaix A, Datchi F, Guarguaglini M, Lefevre F, Occelli F, Redmer R, Vinci T, Ravasio A. 2023. Melting curve of superionic ammonia at planetary interior conditions. Nature Physics. 19, 1280–1285.
View | Files available | DOI | WoS
 

2023 | Journal Article | IST-REx-ID: 14605
Ouyang N, Zeng Z, Wang C, Wang Q, Chen Y. 2023. Role of high-order lattice anharmonicity in the phonon thermal transport of silver halide AgX (X=Cl,Br, I). Physical Review B. 108(17), 174302.
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