Zachary W. Ulissi

Phone: 
Chemical Engineering, Carnegie Mellon University
Ph.D., Massachusetts Institute of Technology, 2015
Summary:

Our research work is focused on study of chemical, mechanical, electronic, and thermal properties of nano sized materials. At nano scales, entropic fluctuations become more prominent and materials behave differently. Our work is on capturing these effects in real devices and applications requires a range of modeling approaches, from hard theory (DFT and kinetics), to soft theory (continuum, statistical mechanics and molecular dynamics), and up through systems engineering approaches. There are various application to study such effect, including biomedical sensors (nanotube-based optical sensors)  and energy applications (CO2 to fuels, fuel cells, thermal catalysis). Following are our major projects:

  • Controlling selectivity of nanoscale interfaces with co-adsorbates and soft functionalizations
  • Machine-learning based approaches to accelerate materials screening
  • Bayesian methods for complex reaction mechanism reduction and elucidation

Pari (Aini) Palizhati

Graduate Student

apalizha@andrew.cmu.edu
Doherty Hall A207A, Carnegie Mellon University, Pittsburgh PA, 15213

Affiliation:

Chemical Engineering
Carnegie Mellon University

Nianhan (Kaylee) Tian

Undergraduate Student

nianhant@andrew.cmu.edu
Doherty Hall A207A, Carnegie Mellon University, Pittsburgh PA, 15213

Affiliation:

Chemical Engineering
Carnegie Mellon University

Kevin Tran

Graduate Student

ktran@andrew.cmu.edu
Doherty Hall A207A, Carnegie Mellon University, Pittsburgh PA, 15213

Affiliation:

Chemical Engineering
Carnegie Mellon University

Junwoong Yoon

Graduate Student

junwoony@andrew.cmu.edu
Doherty Hall A207A, Carnegie Mellon University, Pittsburgh OR, 15213

Affiliation:

Chemical Engineering
Carnegie Mellon University

Zong Qian (Max) Yu

MS Student

zongqiay@andrew.cmu.edu
Doherty Hall A207A, Carnegie Mellon University, Pittsburgh PA, 15213

Affiliation:

Chemical Engineering
Carnegie Mellon University

Wen (Amber) Zhong

MS Student

wzhong1@andrew.cmu.edu
Doherty Hall A207A, Carnegie Mellon University, Pittsburgh PA, 15213

Affiliation:

Chemical Engineering
Carnegie Mellon University
Most Cited Publications
  1. "Molecular recognition using corona phase complexes made of synthetic polymers adsorbed on carbon nanotubes," J. Zhang, M. P. Landry, P. W. Barone, J-H Kim, S. Lin, Z. W. Ulissi, D. Lin, B. Mu, A. A. Boghossian, A. J Hilmer, A. Rwei, A. C. Hinckley, S. Kruss, M. A Shandell, N. Nair, S. Blake, F. Şen, S. Şen, R. G. Croy, D. Li, K. Yum, J-H Ahn, H. Jin, D. A. Heller, J. M. Essigmann, D. Blankschtein, M. S. Strano, Nature Nanotechnology 8, 959 (2013)
  2. "Diameter-dependent ion transport through the interior of isolated single-walled carbon nanotubes," W. Choi, Z. W. Ulissi, S. FE Shimizu, D. O Bellisario, M. D. Ellison, M. S. Strano, Nature Communications 4, 2397 (2013)
  3. "To address surface reaction network complexity using scaling relations machine learning and DFT calculations," Z. W. Ulissi, A.J Medford, T. Bligaard, J. K Nørskov, Nature Communications 8,14621 (2017)
  4. "Modelling and development of photoelectrochemical reactor for H2 production'" C. Carver, Z. W. Ulissi, C. K. Ong, S. Dennison, G. H. Kelsall, K. Hellgardt, International Journal of Hydrogen Energy 37, 2911 (2012)
  5. "Low dimensional carbon materials for applications in mass and energy transport," Q.Hua Wang, D. O. Bellisario, L. W. Drahushuk, R. M. Jain, S. Kruss, M. P. Landry, S. G. Mahajan, S. FE Shimizu, Z. W. Ulissi, M.S. Strano, Chem. Mater., 26, 72 (2014)
Recent Publications
  1. "Theoretical Investigations of Transition-Metal Surface Energies Under Lattice Strain and CO Environment," M. Tang, Z. W. Ulissi, K Chan, J. Phys. Chem. C 122, 14481 (2018)
  2. "Copper Silver Thin Films with Metastable Miscibility for Oxygen Reduction Electrocatalysis in Alkaline Electrolytes," D Higgins, M Wette, BM Gibbons, S Siahrostami, C Hahn, Marıa Escudero-Escribano, Max García-Melchor, Z. W. Ulissi, R. C. Davis, A. Mehta, B. M. Clemens, J. K. Nørskov, and T. F. Jaramillo, ACS Appl. Energy Mater.,1,1990 (2018)
  3. "Polarimetric accessory for colposcope," A. Gandjbakhche, V. Chernomordik, M. Hassan, A. Sviridov, Z. W. Ulissi, P. D. Smith, A. C. Boccara, US Patent 9,801,536
  4. "Machine-Learning Methods Enable Exhaustive Searches for Active Bimetallic Facets and Reveal Active Site Motifs for CO2 Reduction," Z. W. Ulissi, M. T. Tang, J. Xiao, X. Liu, D. A. Torelli, M. Karamad, K. Cummins, C. Hahn, N. S. Lewis, T. F. Jaramillo, K. Chan, and J. K. Nørskov, ACS Catal., 7, 6600 (2017)
  5. "To address surface reaction network complexity using scaling relations machine learning and DFT calculations," Z. W. Ulissi, A. J. Medford, T. Bligaard, J. K. Nørskov Nature communications 8, 14621 (2017)

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