Dr. Nicolás Ramos

University of Vienna
Institute of Theoretical Chemistry
Währinger Str. 17
1090 Vienna

+43 1 4277

Focus Area
Our goal is the study of several Polycyclic Aromatic Hydrocarbons based photoswitches for molecular electronics. This implies the study of photoisomerization processes and the further determination of the molecular conductance for the different switch forms. The results obtained in the project will allow proposing cutting-edge designs of molecular photoswitches that may mimic more complex active devices within electronic systems.
Awards & Prizes
2017 Postdoctoral Fellowship by "Regional Ministry of Culture, Education and University Planning" (Xunta de Galicia, Regional Government in Spain).
2015 Extraordinary doctorate award by University of Vigo.

  1. N. Ramos-Berdullas, S. Gil-Guerrero and M. Mandado
    Transmission channels in the time-energy uncertainty relation approach to molecular conductance: Symmetry rules for the electron transport in molecules
    Int. J. Quantum Chem. (2018)
  2. S. Gil-Guerrero, N. Ramos-Berdullas and M. Mandado
    Can aromaticity enhance the electron transport in molecular wires?
    Org. Electron. (2018)
  3. D. López-Carballeira, N. Ramos-Berdullas, I. Pérez-Juste, M. Mandado
    Can single graphene nanodisks be used as Raman enhancement platforms?
    RSC Adv., 6, 71397-71403 (2016)
  4. D. López-Carballeira, N. Ramos-Berdullas, I. Pérez-Juste, J. L. Cagide Fajín, M. N. D. S. Cordeiro, M. Mandado
    A computational study of the interaction of graphene structures with biomolecular units
    Phys. Chem. Chem. Phys., 18, 15312-15321 (2016)
  5. T. Woller, N. Ramos-Berdullas, M. Mandado, M. Alonso, F. De Proft and J. Contreras-García
    Understanding Conductivity in Molecular Switches: a Real Space Approach in Octaphyrins
    Phys. Chem. Chem. Phys., 18, 11829-11838 (2016)
  6. N. Ramos-Berdullas, D. López-Carballeira, I. Pérez-Juste, M. Mandado
    On the mechanism responsible of Raman enhancement on carbon allotropes surfaces: the role of molecule-surface vibrational coupling in SERS
    J. Raman Spectrosc., 46, 1205-1214 (2015)
  7. M. Mandado, N. Ramos-Berdullas
    Tunable Aromaticity in Bicalicenes
    Phys. Chem. Chem. Phys., 17, 16826-16834 (2015)
  8. N. Ramos-Berdullas, D. López-Carballeira, I. Pérez-Juste, M. Mandado
    Revisiting the mechanism and the influence of the excitation wavelength on the surface-enhanced Raman scattering of the pyridine Ag20 system
    Theor. Chem. Acc., 134, 60/1-13 (2015)
  9. N. Ramos-Berdullas, A. Graña-Rodríguez, M. Mandado
    Study of electron transport in polybenzenoid chains covalently attached to gold atoms through unsaturated methylene linkers
    Theor. Chem. Acc., 134, 20/1-13 (2015)
  10. N. Ramos-Berdullas, C. Van Alsenoy, I. Pérez-Juste, M. Mandado
    Theoretical study of the adsorption or aromatic units on carbon allotropes including explicit (empirical) DFT dispersion corrections and implicitly dispersion-corrected functionals: The pyridine case
    Phys. Chem. Chem. Phys., 17, 575-587 (2015)
  11. D. Ferro-Costas, N. Ramos-Berdullas, R. A. Mosquera
    Exploring the versatility of the gCH topological electronegativity estimator
    Comp. Theor. Chem., 1053, 85-89 (2015)
  12. N. Ramos-Berdullas, D. Ferro-Costas, M. Mandado
    Resonance assisted electron transport in oligophenyl conductors
    Comp. Theor. Chem., 1053, 263-269 (2015)
  13. N. Ramos-Berdullas, M. Mandado
    Revisiting the Calculation of I/V Profiles in Molecular Junctions Using the Uncertainty Principle
    J. Phys. Chem. A, 118, 3827-3834 (2014)
  14. M. Mandado, N. Ramos-Berdullas
    Analyzing the Electric Response of Molecular Conductors Using "Electron Deformation" Orbitals and Occupied-Virtual Electron Transfer
    J. Comp. Chem., 35, 1261-1269 (2014)
  15. N. Ramos-Berdullas, S. Radenkovic, P. Bultinck, M. Mandado
    Aromaticity of Closed-Shell Charged Polybenzenoid Hydrocarbons
    J. Phys. Chem. A, 117, 4679-4687 (2013)
  16. N. Ramos-Berdullas, M. Mandado
    Electronic Properties of p-Xylylene and p-Phenylene Chains Subjected to Finite Bias Voltages: A New Highly Conducting Oligophenyl Structure
    Chem. Eur. J., 19, 3646-3654 (2013)


  1. N. Ramos-Berdullas, M. Mandado
    Cover Image
    J. Comp. Chem., 35(17), iii-iv (2014)
  2. N. Ramos-Berdullas, M. Mandado
    Cover Image
    . Phys. Chem. A, 118(21) (2014)