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7 Publications
2025 | Published | Journal Article | IST-REx-ID: 18710 | 
Hrast, M., Ljubotina, M., & Zitnik, M. (2025). Ab initio Auger spectrum of the ultrafast dissociating 2p3/2−1σ* resonance in HCl. Physical Chemistry Chemical Physics. Royal Society of Chemistry. https://doi.org/10.1039/d4cp03727h
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2022 | Published | 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
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2020 | Published | 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 | Published | 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
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2016 | Published | Journal Article | IST-REx-ID: 17964 |
Cvetko, D., Fratesi, G., Kladnik, G., Cossaro, A., Brivio, G. P., Venkataraman, L., & Morgante, A. (2016). Ultrafast electron injection into photo-excited organic molecules. Physical Chemistry Chemical Physics. Royal Society of Chemistry. https://doi.org/10.1039/c6cp04099c
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2012 | Published | Journal Article | IST-REx-ID: 18004
Ahn, S., Aradhya, S. V., Klausen, R. S., Capozzi, B., Roy, X., Steigerwald, M. L., … Venkataraman, L. (2012). Electronic transport and mechanical stability of carboxyl linked single-molecule junctions. Physical Chemistry Chemical Physics. Royal Society of Chemistry. https://doi.org/10.1039/c2cp41578j
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2010 | Published | 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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