Publications in collaboration with researchers from University of Vienna (38)

2026

  1. Comparing the Mechanical and Thermodynamic Definitions of Pressure in Ice Nucleation

    Journal of Physical Chemistry Letters, Vol. 17, Núm. 8, pp. 2367-2373

  2. Deep learning framework for accurate prediction and high-throughput search of the thermoelectric figure of merit in skutterudites

    Journal of Materials Chemistry A

2025

  1. Solid-Liquid Interfacial Free Energy from Computer Simulations: Challenges and Recent Advances

    Chemical Reviews, Vol. 125, Núm. 10, pp. 5003-5053

2024

  1. Predictions of the interfacial free energy along the coexistence line from single-state calculations

    Journal of Chemical Physics, Vol. 161, Núm. 20

  2. 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. Activity-Induced Collapse and Arrest of Active Polymer Rings

    Physical Review Letters, Vol. 126, Núm. 9

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

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

2020

  1. Identification of Protein Functional Regions

    ChemPhysChem, Vol. 21, Núm. 4, pp. 335-347

  2. 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

  3. Protein design under competing conditions for the availability of amino acids

    Scientific Reports, Vol. 10, Núm. 1

2019

  1. Design of Protein-Protein Binding Sites Suggests a Rationale for Naturally Occurring Contact Areas

    Journal of Chemical Theory and Computation, Vol. 15, Núm. 2, pp. 1383-1392

  2. General Methodology to Identify the Minimum Alphabet Size for Heteropolymer Design

    Advanced Theory and Simulations, Vol. 2, Núm. 7

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

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

2018

  1. Erratum: Author Correction: The role of directional interactions in the designability of generalized heteropolymers (Scientific reports (2017) 7 1 (4986))

    Scientific reports

  2. Globulelike Conformation and Enhanced Diffusion of Active Polymers

    Physical Review Letters, Vol. 121, Núm. 21

  3. Heteropolymer Design and Folding of Arbitrary Topologies Reveals an Unexpected Role of Alphabet Size on the Knot Population

    Macromolecules, Vol. 51, Núm. 21, pp. 8346-8356

  4. Multi-scale approach for self-assembly and protein folding

    Design of Self-Assembling Materials (Springer International Publishing), pp. 107-128