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.

Recent News

  • 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.
  • August 17, 2017. New group pictures! Check them out here.
  • August 6-11, 2017. Bing, Wen, Antonio and Ignacio are attending the GRC on Quantum Control of Light Matter. One of the contributions of the group ¨Quantifying early-time decoherence dynamics through fluctuations¨ was upgraded to a hot topic talk!
  • July 27, 2017. Antonio advances into the Ph.D. program. Congratulations Antonio!
  • July 17-20, 2017. Ignacio is presenting the work of the group in the Telluride workshop on ¨Nonequilibrium Phenomena, Nonadiabatic Dynamics and Spectroscopy¨.
  • June 30, 2017. The participants of the Summer Fellowship Program for International Students that Ignacio coordinates are now in town!
  • June 19, 2017.  Pawel Wójcik from the University of Warsaw joins the group for the summer as part of our prestigious  summer research fellowship program for international students. Welcome Pawel!
  • June 6, 2017. Arnab’s paper proposing distilled purities as a method to follow basis-dependent electronic coherences is now out in J. Chem. Phys.! Check it out: link
  • June 5, 2017. Ignacio is in Hershey, PA presenting the work of the group in ACS MARM.
  • May 18, 2017. Bing’s paper developing a new method for quantum dynamics based on a partial Bohmian representation is now out in J. Chem. Phys.! Check it out: link

Click here for additional news

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


  • UR.4col.v2_transparent2