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4 Publications
2022 | Journal Article | IST-REx-ID: 12938 | 
Gamper J, Kluibenschedl F, Weiss AKH, Hofer TS. 2022. 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. 24(41), 25191–25202.
[Published Version]
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| PubMed | Europe PMC
2020 | Journal Article | IST-REx-ID: 9666 |
Reinhardt A, Pickard CJ, Cheng B. 2020. Predicting the phase diagram of titanium dioxide with random search and pattern recognition. Physical Chemistry Chemical Physics. 22(22), 12697–12705.
[Published Version]
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| arXiv
2018 | Journal Article | IST-REx-ID: 9668 |
Cheng B, Dellago C, Ceriotti M. 2018. Theoretical prediction of the homogeneous ice nucleation rate: Disentangling thermodynamics and kinetics. Physical Chemistry Chemical Physics. 20(45), 28732–28740.
[Preprint]
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| arXiv
2010 | Journal Article | IST-REx-ID: 10128
Šarić A, Hrenar T, Mališ M, Došlić N. 2010. Quantum mechanical study of secondary structure formation in protected dipeptides. Physical Chemistry Chemical Physics. 12(18), 4678–4685.
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| PubMed | Europe PMC