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4 Publications
2022 | Journal Article | IST-REx-ID: 12938 | 
Gamper, Jakob, et al. “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, 2022, pp. 25191–202, doi:10.1039/d2cp03921d.
[Published Version]
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| PubMed | Europe PMC
2020 | Journal Article | IST-REx-ID: 9666 |
Reinhardt, Aleks, et al. “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, 2020, pp. 12697–705, doi:10.1039/d0cp02513e.
[Published Version]
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| arXiv
2018 | Journal Article | IST-REx-ID: 9668 |
Cheng, Bingqing, et al. “Theoretical Prediction of the Homogeneous Ice Nucleation Rate: Disentangling Thermodynamics and Kinetics.” Physical Chemistry Chemical Physics, vol. 20, no. 45, Royal Society of Chemistry, 2018, pp. 28732–40, doi:10.1039/c8cp04561e.
[Preprint]
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| arXiv
2010 | Journal Article | IST-REx-ID: 10128
Šarić, Anđela, et al. “Quantum Mechanical Study of Secondary Structure Formation in Protected Dipeptides.” Physical Chemistry Chemical Physics, vol. 12, no. 18, Royal Society of Chemistry , 2010, pp. 4678–85, doi:10.1039/b923041f.
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