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 2019
  • Group Picture 2018
  • Group Picture 2018
  • Group Picture, 2017
  • Group Picture, 2017
  • Group Picture, 2016
  • Group Picture, 2016

Recent News

  • May 19, 2019. Ignacio receives the Provost’s G. Graydon (’58) and Jane W. Curtis Teaching Award in recognition for his “record of extraordinary teaching ability and technique”.
  • May 6, 2019. Leopoldo gives his 3rd year presentation. Good stuff!
  • March 28, 2019. Zhi’s paper “Molecular Electronics: Toward the Atomistic Modeling of

    Conductance Histograms” has just been published in J. Phys. Chem. C. Check it out here!

  • March 15, 2019. Prof. Thorsten Hansen (U. Copenhagen) is visiting the group.
  • March 3-8, 2019. Ignacio and Leopoldo are in Boston presenting the work of the group on laser-driven matter (P17.00008, A16.00005, A16.00006), and single-molecule multidimensional spectroscopies (B16.00009 and B16.00013)!
  • Feb. 22, 2019. Ignacio is at Nova Scotia giving a PChem talk at Dalhousie.
  • Feb. 5, 2019. Leopoldo’s paper “Force-conductance spectroscopy of a single-molecule reaction” has now been published in Chemical Science! Check it out here
  • Jan. 23, 2019. Yuly Chamorro comes to Rochester as a visiting M.Sc. student from the Universidad de Antioquia. Welcome Yuly!
  • Jan. 7, 2019. Our very own Zhi Li succesfully defended her Ph.D. thesis. Congrats Zhi!
  • Dec. 13, 2018. Bing’s paper developing a theory of the optical absorption of laser-dress matter has now been accepted in Phys. Rev. A!  Congrats Bing! Check it out here
  • Nov. 7, 2018.  Bing’s paper “Electronic interactions do not affect electronic decoherence in the pure-dephasing limit” was just published in J. Chem. Phys.! Check it out here!
  • Oct. 17, 2018. Leopoldo is awarded a Weissberger Memorial Fellowship for the 2018-19 academic year. Congratulations!
  • Oct. 14, 2018. Group lunch and pumpkin carving party! 
  • Oct. 11, 2018. Ignacio is at UMichigan giving a talk on decoherence in molecular processes. 
  • 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!
  • Sept. 3, 2018. Antonio is attending the 10th Photodynamics meeting in Cartagena.
  • August 6-10. Leopoldo and Ignacio are at the GRC on Donor-Acceptor Interactions.
  • Aug. 4, 2018. New group pictures! 
  • July 27, 2018. Leopoldo passed his qualifying exam, and is now officially a Ph.D. candidate in Chemistry. Congrats!
  • 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!

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