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4 Publications
2022 | Journal Article | IST-REx-ID: 12938 | 
J. Gamper, F. Kluibenschedl, A. K. H. Weiss, and T. S. Hofer, “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, vol. 24, no. 41. Royal Society of Chemistry, pp. 25191–25202, 2022.
[Published Version]
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2020 | Journal Article | IST-REx-ID: 9666 |
A. Reinhardt, C. J. Pickard, and B. Cheng, “Predicting the phase diagram of titanium dioxide with random search and pattern recognition,” Physical Chemistry Chemical Physics, vol. 22, no. 22. Royal Society of Chemistry, pp. 12697–12705, 2020.
[Published Version]
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| arXiv
2018 | Journal Article | IST-REx-ID: 9668 |
B. Cheng, C. Dellago, and M. Ceriotti, “Theoretical prediction of the homogeneous ice nucleation rate: Disentangling thermodynamics and kinetics,” Physical Chemistry Chemical Physics, vol. 20, no. 45. Royal Society of Chemistry, pp. 28732–28740, 2018.
[Preprint]
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| arXiv
2010 | Journal Article | IST-REx-ID: 10128
A. Šarić, T. Hrenar, M. Mališ, and N. Došlić, “Quantum mechanical study of secondary structure formation in protected dipeptides,” Physical Chemistry Chemical Physics, vol. 12, no. 18. Royal Society of Chemistry , pp. 4678–4685, 2010.
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