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Mireia Via-Nadal

Donostia International Physics Center (DIPC) & Universidad del País Vasco / Euskal Herriko Unibertsitatea (UPV/EHU)
PK 1072, 20018, Donostia – San Sebastián, Euskadi, Spain

Manuel Lardizabal Ibilbidea 4, 20018 Donostia
Euskal Herria

E-mail: mireiavia92@gmail.com

Education

  • Ph.D. in Theoretical Chemistry and Computational Modeling (Jul. 2016 – current)
    Universidad del País Vasco / Euskal Herriko Unibertsitatea (UPV/EHU), Donostia, Euskal Herria
    Thesis advisor: Dr. Eduard Matito
  • M. Sc. in Theoretical Chemistry and Computational Modeling (EMTCCM) (2014 – 2016)
    Universitat de Barcelona (UB), Barcelona, Catalunya
    Granted with Honors
    Thesis advisor: Dr. Francesc Mas
  • B. Sc. in Chemistry (2010-2014)
    Universitat de Barcelona (UB), Barcelona, Catalunya

Publications

M. Rodriguez Mayorga, M. Via-Nadal, M. Solà, J. M. Ugalde, X. Lopez, E. Matito, “Electron-Pair Distribution in Chemical Bond Formation“, J. Phys. Chem. A, vol. 122, p. 1916 (2018), DOI: 10.1021/acs.jpca.7b12556

M. Via-Nadal, M. Rodriguez-Mayorga, E. Matito; “A Salient Signature of van der Waals interactions“, Phys. Rev. A rapid comm., vol 96, p. 050501(R) (2017arxivdoi:10.1103/PhysRevA.96.050501

M. Rodriguez-Mayorga, E. Ramos-Cordoba, M. Via-Nadal, M. Piris, E. Matito; “Comprehensive Benchmarking of Density Matrix Functional Approximations”, Phys. Chem. Chem. Phys. vol. 19, p. 24029 (2017) doi:10.1039/C7CP03349D

P. M. Blanco, M. Via-Nadal, J. L. Garcés, S. Madurga, F. Mas; “Brownian Dynamics Computational Model of Protein Diffusion in Crowded Media with Dextran Macromolecules as Obstacles”, Entropy vol. 19(3), 105, p. 1 (2017) doi:10.3390/e19030105

C. Balcells, I. Pastor, L. Pîtullice, C. Hernández, M. Via-Nadal, J. L. Garcés, S. Madurga, E. Vilaseca, A. Isvoran, M. Cascante, F. Mas; “Macromolecular crowding upon in-vivo-like enzyme kinetics: Effect of enzyme-obstacle size ratio“, New Front. Chem. vol. 24(1), p.3 (2015)

Communications

Oral

  • Authors: M. Via-Nadal, M. Rodríguez-Mayorga, E. Ramos-Cordoba and E. Matito.
    Conference: 16th ICQC Satellite Meeting on Strong Correlation in Electronic Structure Theory
    Title: Separation of the Coulomb Hole into Weak and Strong Correlation Contributions
    Place: National University Library, Strasbourg (France)
    Date: June 2018
  • Authors: M. Via-Nadal, M. Garcia-Borràs, J. M. Luis and E. Matito
    Conference: 6th Workshop in European Doctorate of Theoretical Chemistry and  Computational Modeling (TCCM)
    Title: Reactivity Indices for Diels-Alder Regioselectivity Prediction in Fullerenes
    Place: Institut d’Estudis Catalans (IEC), Barcelona (Spain)
    Date: September 2017
  • Authors: M. Rodriguez-Mayorga, M. Via-Nadal, E. Ramos-Cordoba and E. Matito
    Conference: 11th European Conference on Theoretical and Computational Chemistry (EUCO-TCC)
    Title: Splitting the Coulomb Hole into its Dynamic and Nondynamic Contributions
    Place: Institut d’Estudis Catalans (IEC), Barcelona (Spain)
    Date: September 2017
  • Authors: M. Via-Nadal, M. Garcia-Borràs, J. M. Luis and E. Matito
    Conference: 1st International Vigo Meeting on Advanced Computational Chemistry (1ViMACC)
    Title: Reactivity Indices for Diels-Alder Regioselectivity Prediction in Fullerenes
    Place: Hotel AXIS, Vigo (Spain)
    Date: June 2017

Written (posters)

  • Authors: M. Via-Nadal, M. Garcia-Borràs, J. M. Luis and E. Matito
    Conference: Girona Seminar 2018: Predictive Catalysis. Transition-Metal Reactivity by Design
    Title: Reactivity Indices for Diels-Alder Regioselectivity Prediction in Fullerenes
    Place: Centre Cultural la Mercè, Girona (Spain)
    Date: April 2018
  • Authors: M. Rodriguez-Mayorga, M. Via-Nadal, E. Ramos-Cordoba and E. Matito
    Conference: European Summer School on Quantum Chemistry (ESQC)
    Title: Splitting the Coulomb Hole into its Dynamic and Nondynamic Contributions
    Place: Hotel Torre Normana, Palermo (Italy)
    Date: September 2017
  • Authors: M. Rodriguez-Mayorga, M. Via-Nadal, E. Ramos-Cordoba and E. Matito
    Conference: 11th Triennal Contress of the World Association of Theoretical and Computational Chemistry (WATOC)
    Title: Splitting the Coulomb Hole into its Dynamic and Nondynamic Contributions
    Place: Gasteig Kulturzentrum, München (Germany)
    Date: August 2017

Schools and Complementary formation

  • European Summer School on Quantum Chemistry (ESQC)
    Place: Hotel Torre Normana, Palermo (Italy)
    Date: September 2017
  • TCCM Winterschool LTTC – Louchon Tutorials in Theoretical Chemistry
    Place: Saint-Lary-Soulan (France)
    Date: February 2016
  • CECAM Summerschool on Atomistic Simulation Techniques for Material Science, Nanotechnology and Biophysics
    Place: Scuola Internazionale Superiore si Studi Avanzati (SISSA), Trieste (Italy)
    Date: July 2015
  • ZCAM European School on Solids (Part of EM-TCCM program)
    Place: Universidad de Zaragoza, Zaragoza (Spain)
    Date: May 2013
  • School on Computational Biochemistry (Part of EM-TCCM program)
    Place: Universitat de Barcelona, Barcelona (Spain)
    Date: April 2013
  • ZCAM European School on Excited States (Part of EM-TCCM program)
    Place: Universidad de Zaragoza, Zaragoza (Spain)
    Date: March 2013