Luke T. Roling

  • Assistant Professor
  • Chemical and Biological Engineering

Main Office

1035 Sweeney
Ames, IA 50011
Phone: 515-294-4959


  • Ph.D. Chemical Engineering; University of Wisconsin-Madison 2016

  • B.S. Chemical Engineering; Iowa State University 2011

  • B.S. Liberal Arts & Sciences, major in mathematics; Iowa State University 2011

Interest Areas

  • Computational design of heterogeneous catalysts

  • Catalyst stability and reaction dynamics

  • Scaling relations in catalysis

  • Condensed phase reaction modeling

Selected Publications

  • “Structure Sensitive Scaling Relations: Adsorption Energies from Surface Site Stability”, L. T. Roling, F. Abild-Pedersen, ChemCatChem (2018),
  • “Configurational Energies of Nanoparticles Based on Metal-Metal Coordination”, L. T. Roling, L. Li, F. Abild-Pedersen, Journal of Physical Chemistry C 121, 23002 (2017)
  • “Toward Rational Nanoparticle Synthesis: Predicting Surface Intermixing in Bimetallic Alloy Nanocatalysts”, L. T. Roling, M. Mavrikakis, Nanoscale 9, 15005 (2017)
  • “Understanding the Thermal Stability of Palladium-Platinum Core-Shell Nanocrystals by In Situ Transmission Electron Microscopy and Density Functional Theory”, M. Vara, L. T. Roling, X. Wang, A. O. Elnabawy, Z. D. Hood, M. Chi, M. Mavrikakis, Y. Xia, ACS Nano 11, 4571 (2017)
  • “Design of Chemoresponsive Liquid Crystals through Integration of Computational Chemistry and Experimental Studies”, T. Szilvási, L. T. Roling, H. Yu, P. Rai, S. Choi, R. J. Twieg, M. Mavrikakis, N. L. Abbott, Chemistry of Materials 29, 3563 (2017)
  • “Towards First-Principles Molecular Design of Liquid Crystal-Based Chemoresponsive Systems”, L. T. Roling, J. Scaranto, J. A. Herron, H. Yu, S. Choi, N. L. Abbott, M. Mavrikakis, Nature Communications 7, 13338 (2016)
  • “Dimethyl Ether Electro-Oxidation on Platinum Surfaces”, L. T. Roling, J. A. Herron, W. Budiman, P. Ferrin, M. Mavrikakis, Nano Energy 29, 428 (2016)
  • “Synthesis and Characterization of Pt-Ag Alloy Nanocages with Enhanced Activity and Durability Toward Oxygen Reduction”, X. Yang, L. T. Roling, M. Vara, A. O. Elnabawy, M. Zhao, Z. D. Hood, S. Bao, M. Mavrikakis, Y. Xia, Nano Letters 16, 6644 (2016)
  • “Platinum-based nanocages with subnanometer-thick walls and well-defined, controllable facets”, L. Zhang, L. T. Roling, X. Wang, M. Vara, M. Chi, J. Liu, S.-I. Choi, J. Park, Z. Xie, J. A. Herron, M. Mavrikakis, Y. Xia, Science 349, 412 (2015)
  • “Palladium-Platinum Core-Shell Icosahedra with Substantially Enhanced Activity and Durability Towards Oxygen Reduction”, X. Wang, S.-I. Choi, L. T. Roling, M. Luo, C. Ma, L. Zhang, M. Chi, J. Liu, Z. Xie, J. A. Herron, M. Mavrikakis, Y. Xia, Nature Communications 6, 7594 (2015)