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

  • Sept 24, 2018. Antonio’s paper “Stark control of electrons across interfaces” has now been accepted in Phys. Rev. B. Congrats Antonio! Check it out here!
  • July 25, 2018. Wen gave his 3rd year presentation, and is now a Ph.D. candidate in the material science program. Congrats Wen!
  • July 24, 2018. The theory-experiment collaborative paper with M. Koch (FHI), L. Grill (Graz) and others investigating the electrical and mechanical properties of single graphene nanoribbons is now out in Phys. Rev. Lett! Zhi played a major role in this work by providing atomistic understanding into the experimental observations. Congrats Zhi! Check it out here. See also a synopsis here.
  • June 26-30, 2018. Ignacio and Joel Yuen-Zhou co-organized the Telluride workshop “Quantum Frontiers in Molecular Science“. Very exciting times in molecular quantum mechanics!
  • June 22, 2018. Our work studying femtosecond laser-induced currents along metal-silica-metal nanoscale junctions is highlighted in the news! Check it out: UR link, physorg
  • June 19, 2018. The new group of participants of the Summer Fellowship Program for International Students that Ignacio coordinates is now in town. Welcome all!
  • June 18, 2018. Antonio presented his 3rd year talk on “Stark Control of Electrons at Interfaces”. Congrats Antonio!
  • May 29, 2018. Diego Garay joins the group as part of the prestigious Summer Research Fellowship Program for International Students of the Department. ¡Bienvenido Diego!
  • May 25, 2018. Liping’s paper “Stark control of electrons along nanojunctions” was just published in Nature Communications. Check it out here!
  • May 22, 2018. Bing received the 2018 PHYS Young Investigator Award of ACS due to his work on quantum dynamics, quantum decoherence and non-equilibrium properties of matter. Check it out here: http://phys-acs.org/postdocs/2018.html. Congrats Bing!
  • May 19, 2018. Leopoldo has completed all of the requirements for his master’s degrees and was awarded his diploma. Well done!
  • April 3, 2018. Wen’s paper “Lessons on electronic decoherence in molecules from exact modeling” just appeared in J. Chem. Phys. Congrats Wen! Check it out here
  • 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
  • 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 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!

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