Carnegie Mellon University

Zachary Ulissi

Zachary Ulissi

Assistant Professor, Chemical Engineering

  • Doherty Hall 1107
5000 Forbes Avenue
Pittsburgh, PA 15213


Prof. Zachary W. Ulissi joined Carnegie Mellon University in 2016. He received his B.S. in Physics and B.E. in Chemical Engineering from the University of Delaware in 2009, a Masters of Advanced Studies in Mathematics from the University of Cambridge in 2010, and a Ph.D. in Chemical Engineering from MIT in 2015. His thesis research at MIT focused on the the applications of systems engineering methods to understanding selective nanoscale carbon nanotube devices and sensors under the supervision of Michael S. Strano and Richard Braatz. Prof. Ulissi was then a postdoctoral fellow at Stanford with Jens K. Nørskov where he worked on machine learning techniques to simplify complex catalyst reaction networks, applied to the electrochemical reduction of N2 and CO2 to fuels.


  • B.E., Chemical Engineering, B.S., Physics, University of Delaware, 2009
  • M.A.St., Applied Mathematics, Churchill College, University of Cambridge 2010
  • Ph.D., Chemical Engineering, Massachusetts Institute of Technology in 2015


Ulissi's research focuses on accelerated molecular simulations for the design of solution/nanoparticle interfaces with energy applications in thermal catalysis, electrochemistry, and sensing.


Zachary W. Ulissi, A. J. Medford, Thomas Bligaard, and Jens K. Norskov. To address surface reaction network complexity using scaling relations machine learning and dft calculations. Nature Communications, 2017.

Zachary W Ulissi, Ananth Govind Rajan, and Michael S Strano. Persistently auxetic materials: Engineering the poisson ratio of 2d self-avoiding membranes under conditions of non-zero anisotropic strain. ACS nano, 10(8):7542–7549, 2016.

Zachary W Ulissi, Aayush R Singh, Charlie Tsai, and Jens K Norskov. Automated discovery and construction of surface phase diagrams using machine learning. The Journal of Physical Chemistry Letters, 2016.

Zachary W. Ulissi, Jingqing Zhang, Vishnu Sresht, Daniel Blankschtein, and Michael S. Strano. A 2d equation-of-state model for corona phase molecular recognition on single-walled carbon nanotube and graphene surfaces. Langmuir, 31(1):628636, 2015.

Zachary W. Ulissi*, Wonjoon Choi*, Steven F. E. Shimizu, Darin O. Bellisario, Mark D. Ellison, and Michael S. Strano. Diameter-dependent ion transport through the interior of isolated single-walled carbon nanotubes. Nature Communications, 4, September 2013.