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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. 27(3), 1473–1482.
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2022 | Published | Journal Article | IST-REx-ID: 12938 |
Gamper J, Kluibenschedl F, Weiss AKH, Hofer TS. 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. 24(41), 25191–25202.
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2020 | Published | Journal Article | IST-REx-ID: 9666 |
Reinhardt A, Pickard CJ, Cheng B. 2020. Predicting the phase diagram of titanium dioxide with random search and pattern recognition. Physical Chemistry Chemical Physics. 22(22), 12697–12705.
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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. 20(45), 28732–28740.
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| arXiv
2016 | Published | Journal Article | IST-REx-ID: 17964 |
Cvetko D, Fratesi G, Kladnik G, Cossaro A, Brivio GP, Venkataraman L, Morgante A. 2016. Ultrafast electron injection into photo-excited organic molecules. Physical Chemistry Chemical Physics. 18(32), 22140–22145.
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2012 | Published | Journal Article | IST-REx-ID: 18004
Ahn S, Aradhya SV, Klausen RS, Capozzi B, Roy X, Steigerwald ML, Nuckolls C, Venkataraman L. 2012. Electronic transport and mechanical stability of carboxyl linked single-molecule junctions. Physical Chemistry Chemical Physics. 14(40), 13841.
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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. 12(18), 4678–4685.
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