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