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21 Publications


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

2022 |Published| Journal Article | IST-REx-ID: 10827 | OA
High-pressure phase behaviors of titanium dioxide revealed by a Δ-learning potential
J.G. Lee, C.J. Pickard, B. Cheng, The Journal of Chemical Physics 156 (2022).
[Preprint] View | DOI | Download Preprint (ext.) | WoS | arXiv
 

2022 |Published| Journal Article | IST-REx-ID: 11937 | OA
Thermodynamics of high-pressure ice phases explored with atomistic simulations
A. Reinhardt, M. Bethkenhagen, F. Coppari, M. Millot, S. Hamel, B. Cheng, Nature Communications 13 (2022).
[Published Version] View | Files available | DOI | WoS | PubMed | Europe PMC
 

2022 |Published| Journal Article | IST-REx-ID: 12128 | OA
BenchML: An extensible pipelining framework for benchmarking representations of materials and molecules at scale
C. Poelking, F.A. Faber, B. Cheng, Machine Learning: Science and Technology 3 (2022).
[Published Version] View | Files available | DOI | WoS
 

2022 |Published| Journal Article | IST-REx-ID: 12249 | OA
Computing chemical potentials of solutions from structure factors
B. Cheng, The Journal of Chemical Physics 157 (2022).
[Published Version] View | Files available | DOI | WoS
 

2022 |Published| Journal Article | IST-REx-ID: 9695 | OA
Ranking the information content of distance measures
A. Glielmo, C. Zeni, B. Cheng, G. Csanyi, A. Laio, PNAS Nexus 1 (2022).
[Published Version] View | Files available | DOI | Download Published Version (ext.) | arXiv
 

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