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24 Publications


2022 | Published | Journal Article | IST-REx-ID: 10827 | OA
Lee, Jacob G., et al. “High-Pressure Phase Behaviors of Titanium Dioxide Revealed by a Δ-Learning Potential.” The Journal of Chemical Physics, vol. 156, no. 7, 074106, AIP Publishing, 2022, doi:10.1063/5.0079844.
[Preprint] View | DOI | Download Preprint (ext.) | WoS | arXiv
 

2022 | Published | Journal Article | IST-REx-ID: 11937 | OA
Reinhardt, Aleks, et al. “Thermodynamics of High-Pressure Ice Phases Explored with Atomistic Simulations.” Nature Communications, vol. 13, 4707, Springer Nature, 2022, doi:10.1038/s41467-022-32374-1.
[Published Version] View | Files available | DOI | WoS | PubMed | Europe PMC
 

2022 | Published | Journal Article | IST-REx-ID: 12128 | OA
Poelking, Carl, et al. “BenchML: An Extensible Pipelining Framework for Benchmarking Representations of Materials and Molecules at Scale.” Machine Learning: Science and Technology, vol. 3, no. 4, 040501, IOP Publishing, 2022, doi:10.1088/2632-2153/ac4d11.
[Published Version] View | Files available | DOI | WoS
 

2022 | Published | Journal Article | IST-REx-ID: 12249 | OA
Cheng, Bingqing. “Computing Chemical Potentials of Solutions from Structure Factors.” The Journal of Chemical Physics, vol. 157, no. 12, 121101, AIP Publishing, 2022, doi:10.1063/5.0107059.
[Published Version] View | Files available | DOI | WoS
 

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