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4 Publications
2022 | Journal Article | IST-REx-ID: 12938 | 
Gamper, J., Kluibenschedl, F., Weiss, A. K. H., & Hofer, T. S. (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. Royal Society of Chemistry. https://doi.org/10.1039/d2cp03921d
[Published Version]
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| PubMed | Europe PMC
2020 | Journal Article | IST-REx-ID: 9666 |
Reinhardt, A., Pickard, C. J., & Cheng, B. (2020). Predicting the phase diagram of titanium dioxide with random search and pattern recognition. Physical Chemistry Chemical Physics. Royal Society of Chemistry. https://doi.org/10.1039/d0cp02513e
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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. Royal Society of Chemistry. https://doi.org/10.1039/c8cp04561e
[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. Royal Society of Chemistry . https://doi.org/10.1039/b923041f
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