Publications in collaboration with researchers from University of Vienna (42)

2024

  1. Atomistic potential descriptors and structures of defected water and silicon systems

    Zenodo

  2. Atomistic potential descriptors and structures of defected water and silicon systems

    Zenodo

  3. Atomistic potential descriptors and structures of water and silicon phases

    Zenodo

  4. Atomistic potential descriptors and structures of water and silicon phases

    Zenodo

  5. Comparing machine learning potentials for water: Kernel-based regression and Behler-Parrinello neural networks

    Journal of Chemical Physics, Vol. 160, Núm. 11

  6. Density isobar of water and melting temperature of ice: Assessing common density functionals

    Journal of Chemical Physics, Vol. 161, Núm. 13

  7. Perspective: Atomistic simulations of water and aqueous systems with machine learning potentials

    Journal of Chemical Physics, Vol. 160, Núm. 17

  8. RPBE/D3/zd - Water datasets

    Zenodo

  9. RPBE/D3/zd - Water datasets

    Zenodo

  10. Statistical mechanics of crystal nuclei of hard spheres

    Journal of Chemical Physics, Vol. 161, Núm. 18

2023

  1. Minimum in the pressure dependence of the interfacial free energy between ice Ih and water

    Journal of Chemical Physics, Vol. 158, Núm. 12

  2. The kinetics of the ice-water interface from ab initio machine learning simulations

    Journal of Chemical Physics, Vol. 158, Núm. 20

2022

  1. Solvothermal synthesis and characterization of ytterbium/iron mixed oxide nanoparticles with potential functionalities for applications as multiplatform contrast agent in medical image techniques

    Ceramics International, Vol. 48, Núm. 21, pp. 31191-31202

2021

  1. Guidelines for the use and interpretation of assays for monitoring autophagy (4th edition)1

    Autophagy, Vol. 17, Núm. 1, pp. 1-382

2020

  1. Membrane disruption, but not metabolic rewiring, is the key mechanism of anticancer-action of FASN-inhibitors: a multi-omics analysis in ovarian cancer

    Scientific Reports, Vol. 10, Núm. 1

  2. Unveiling the reaction mechanism of novel copper: N -alkylated tetra-azacyclophanes with outstanding superoxide dismutase activity

    Chemical Communications, Vol. 56, Núm. 54, pp. 7511-7514

2019

  1. Multinuclear NMR spectra and GIAO/DFT calculations of N-benzylazoles and N-benzylbenzazoles

    Structural Chemistry, Vol. 30, Núm. 5, pp. 1729-1735

2018

  1. Characterization of an atypical, thermostable, organic solvent- and acid-tolerant 2′-deoxyribosyltransferase from Chroococcidiopsis thermalis

    Applied Microbiology and Biotechnology, Vol. 102, Núm. 16, pp. 6947-6957

  2. Enzymatic Synthesis of Therapeutic Nucleosides using a Highly Versatile Purine Nucleoside 2’-DeoxyribosylTransferase from Trypanosoma brucei

    ChemCatChem, Vol. 10, Núm. 19, pp. 4406-4416

2017

  1. 2′-Deoxyribosyltransferase from Leishmania mexicana, an efficient biocatalyst for one-pot, one-step synthesis of nucleosides from poorly soluble purine bases

    Applied Microbiology and Biotechnology, Vol. 101, Núm. 19, pp. 7187-7200