Rafa Gómez-Bombarelli



Rafael Gómez-Bombarelli

Postdoctoral Researcher
Department of Chemistry and Chemical Biology
Harvard University

Office: Converse Building CV19

E-mail: rgbombarelli [ at ] chemistry.harvard.edu
Address: 12 Oxford Street, Mailbox 13, Cambridge, MA 02138

Training

  • Postdoctoral Research Associate, Heriot-Watt University, Edinburgh, UK, 2012-2014. Advisor: Brendon Lovett
  • Doctorate in Chemistry (Ph.D.), University of Salamanca, Spain, 2011. Advisor: Julio Casado
  • M.Sc. (D.E.A), University of Salamanca, Spain, 2008
  • B.Sc. (Licenciado), University of Salamanca, Spain, 2006
Research Interests

    My interests are at the crossing point between computational, physical and organic chemistry, ir areas such as using computational tools to predict molecular properties and reaction mechanisms or designing molecules for quantum applications (quantum computing, magnetic sensing). Presently I am involved in the design and high-throughput computational screening of OLED emitters.
Selected Publications

Full list at my Google scholar profile

  1. Kelber, J.B.; Panjwani, N.A.; Wu, D.; Gómez-Bombarelli, R.; Lovett, B.W.; Morton, J.J.L.; Anderson, H.L. Synthesis and investigation of donor–porphyrin–acceptor triads with long-lived photo-induced charge-separate states, Chem. Sci. 2015 .
  2. Irish, E.K.; Gómez-Bombarelli, R.; Lovet, B.W. Vibration-assisted resonance in photosynthetic excitation energy transfer, Phys. Rev. A 2015 90 012510.
  3. Gómez-Bombarelli, R.; Calle, E; Casado, J. Mechanisms of lactone hydrolysis in neutral and alkaline conditions J. Org. Chem. 2013, 78, 6868-6879.
  4. Gómez-Bombarelli, R.; Calle, E; Casado, J. Mechanisms of lactone hydrolysis in acidic conditions J. Org. Chem. 2013, 78, 6880-6889.
  5. Gómez-Bombarelli, R.; González-Pérez, M.; Calle, E.; Casado, J. Potential of the NBP Method for the Study of Alkylation Mechanisms: NBP as a DNA-Model Chem. Res. Toxicol. 2012, 25, 1176.
  6. Gómez-Bombarelli, R.; González-Pérez, M.; Teresa Pérez-Prior, M.; Calle, E.; Casado, J. Computational Study of the Acid Dissociation of Esters and Lactones. A Case Study of Diketene J. Org. Chem. 2009, 74, 4943.
  7. Gómez-Bombarelli, R.; González-Pérez, M.; Teresa Pérez-Prior, M.; Calle, E.; Casado, J. Computational Calculation of Equilibrium Constants: Addition to Carbonyl Compounds J. Phys. Chem. A 2009, 113, 11423.
Research stays abroad

  • Université Paris VI (France) with Prof. F. Maurel, 2010.
  • Universidade Nova de Lisboa (Portugal) with Prof. J. Rueff and Dr. Krannendonk, 2009.
  • Insituto de Catálisis y Petroleoquimica (Spain) with Prof. J.L. Garcia-Fierro and Dr. R. Navarro-Yerga, 2006.
  • Universität Tübingen (Germany) with Prof. T. Ziegler and Dr X. Alvarez-Micó, 2004