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4 Publications
2022 | Journal Article | IST-REx-ID: 12938 | 
Gamper J, Kluibenschedl F, Weiss AKH, Hofer TS. From vibrational spectroscopy and quantum tunnelling to periodic band structures – a self-supervised, all-purpose neural network approach to general quantum problems. Physical Chemistry Chemical Physics. 2022;24(41):25191-25202. doi:10.1039/d2cp03921d
[Published Version]
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| PubMed | Europe PMC
2020 | Journal Article | IST-REx-ID: 9666 |
Reinhardt A, Pickard CJ, Cheng B. Predicting the phase diagram of titanium dioxide with random search and pattern recognition. Physical Chemistry Chemical Physics. 2020;22(22):12697-12705. doi:10.1039/d0cp02513e
[Published Version]
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| arXiv
2018 | Journal Article | IST-REx-ID: 9668 |
Cheng B, Dellago C, Ceriotti M. Theoretical prediction of the homogeneous ice nucleation rate: Disentangling thermodynamics and kinetics. Physical Chemistry Chemical Physics. 2018;20(45):28732-28740. doi:10.1039/c8cp04561e
[Preprint]
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| arXiv
2010 | Journal Article | IST-REx-ID: 10128
Šarić A, Hrenar T, Mališ M, Došlić N. Quantum mechanical study of secondary structure formation in protected dipeptides. Physical Chemistry Chemical Physics. 2010;12(18):4678-4685. doi:10.1039/b923041f
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| PubMed | Europe PMC