We are a computational and theoretical physical chemistry group with broad interests in dynamical processes occurring at the nanoscale. We are particularly interested in developing new methods to probe and control the behavior of matter by means of external stimuli, a topic that we like to refer to as “Molecules Under Stress”. Research in our group is interdisciplinary in nature, typically at the interface between Chemistry, Physics, Optics and Nanoscience.

Some group pictures:

  • Group Picture, 2017
  • Group Picture, 2017
  • Group Picture, 2016
  • Group Picture, 2016
  • The Group with George, June 2015
  • Theoreticians out of equilibrium 1/5
  • Theoreticians out of equilibrium 2/5
  • Theoreticians out of equilibrium 3/5
  • Theoreticians out of equilibrium 4/5
  • Theoreticians out of equilibrium 5/5
  • Group Picture, 2014

Recent News

  • March 2, 2018. Ignacio is in Durham, NC visiting Duke and giving a P. Chem. talk. 
  • February 27, 2018. Ignacio is giving a P. Chem. talk at NYU.
  • February 15, 2018. Ignacio is in Ithaca giving a P. Chem talk at Cornell.
  • February 13, 2018. Zhi’s paper “Modeling Non-Reactive Molecule-Surface Systems on Experimentally Relevant Time and Length Scales: Dynamics and Conductance of Polyfluorene on Au(111)” was just accepted to J. Phys. Chem. Lett. Congratulations Zhi for a beautiful piece of work! Check it out here
  • February 8, 2018. Ignacio is in Evanston giving a Theoretical Chemistry seminar at Northwestern.
  • February 7, 2018. Ignacio is in Urbana-Champaign giving a PChem talk at the University of Illinois.
  • January 25, 2018. Leopoldo’s paper “Signatures of Conformational Dynamics and Electrode-Molecule Interactions in the Conductance Profile During Pulling of Single-Molecule Junctions” was just accepted to J. Phys. Chem. Lett. Check it out here!
  • January 23, 2018. Ignacio is in San Diego giving a PChem talk at UCSD.
  • January 18, 2018. Ignacio is in Philadelphia giving a PChem talk at Penn.
  • January 17, 2018. Bing’s paper generalizing the theory for the timescale of molecular electronic decoherence was just accepted to J. Phys. Chem. Lett. Check it out here!
  • November 6, 2017. Ignacio is giving a PChem seminar at USC.
  • November 2, 2017. Ignacio is at the CUNY Graduate Center giving a talk in the workshop “Quantum conductance and forces across molecular junctions”.
  • October 20, 2017. Bing receives APS travel award!
  • October 16, 2017. Ignacio is in Erlangen visiting the group of Peter Hommelhoff at the Friedrich-Alexander University.
  • October 9-13, 2017. Ignacio is in Bremen talking about laser-dressed materials in the CECAM meeting “Charge carrier dynamics in nanostructures: optoelectronic and photo-stimulated processes”.
  • September 25-29, 2017. Ignacio is in Cuernavaca, Mexico presenting the work of the group in the conference “Transport at the Nanoscale” at the Centro Internacional de Ciencias.
  • September 15, 2017. Leopoldo Mejía is awarded a Sherman Clarke Fellowship.
  • August 30, 2017. Alessandro’s simulation paper mechanically tuning excitonic coupling between chromophores is now out in J. Phys. Chem. Lett.! Check it out: link
  • August 28, 2017. Bing’s paper isolating a general but simple formula for decoherence times is now out in J. Phys. Chem. Lett.! Check it out: link
  • August 22, 2017. Ignacio is in the ACS meeting in DC to receive the OpenEye Outstanding Junior Faculty Award in Computational Chemistry.

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