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4 Publications
2022 | Journal Article | IST-REx-ID: 12938 | 
Gamper, Jakob, Florian Kluibenschedl, Alexander K. H. Weiss, and Thomas 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. Royal Society of Chemistry, 2022. https://doi.org/10.1039/d2cp03921d.
[Published Version]
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| PubMed | Europe PMC
2020 | Journal Article | IST-REx-ID: 9666 |
Reinhardt, Aleks, Chris J. Pickard, and Bingqing Cheng. “Predicting the Phase Diagram of Titanium Dioxide with Random Search and Pattern Recognition.” Physical Chemistry Chemical Physics. Royal Society of Chemistry, 2020. https://doi.org/10.1039/d0cp02513e.
[Published Version]
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| arXiv
2018 | Journal Article | IST-REx-ID: 9668 |
Cheng, Bingqing, Christoph Dellago, and Michele Ceriotti. “Theoretical Prediction of the Homogeneous Ice Nucleation Rate: Disentangling Thermodynamics and Kinetics.” Physical Chemistry Chemical Physics. Royal Society of Chemistry, 2018. https://doi.org/10.1039/c8cp04561e.
[Preprint]
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| arXiv
2010 | Journal Article | IST-REx-ID: 10128
Šarić, Anđela, T. Hrenar, M. Mališ, and N. Došlić. “Quantum Mechanical Study of Secondary Structure Formation in Protected Dipeptides.” Physical Chemistry Chemical Physics. Royal Society of Chemistry , 2010. https://doi.org/10.1039/b923041f.
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