Luke T Roling


Assistant Professor and Black and Veatch Building a World of Difference Faculty Fellow in Engineering


3053 Sweeney
618 Bissell Rd.
Ames, IA 50011-1098



  • 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

  • Advanced & nanostructured materials

  • Computational design of heterogeneous catalysts

  • Catalysis & reaction engineering

  • Energy correlations in catalysis

  • Condensed phase reaction modeling

Roling Catalyst Design Group research site


  • “Silicene, Siloxene, or Silicane? Revealing the Structure and Optical Properties of Silicon Nanosheets Derived from Calcium Disilicide”, B. J. Ryan, M. P. Hanrahan, Y. Wang, U. Ramesh, C. K. A. Nyamekye, R. D. Nelson, Z. Liu, C. Huang, B. Whitehead, J. Wang, L. T. Roling, E. A. Smith, A. J. Rossini, M. G. Panthani, Chemistry of Materials, 32, 795 (2020)
  • “A Coordination-Based Model for Transition Metal Alloy Nanoparticles”, L. T. Roling, T. S. Choksi, F. Abild-Pedersen, Nanoscale 11, 4438 (2019)
  • “Predicting Adsorption Properties of Catalytic Descriptors on Bimetallic Nanoalloys with Site-Specific Precision”, T. S. Choksi, L. T. Roling, V. Streibel, F. Abild-Pedersen, Journal of Physical Chemistry Letters 10, 1852 (2019)
  • “Structure-Sensitive Scaling Relations: Adsorption Energies from Surface Site Stability”, L. T. Roling, F. Abild-Pedersen, ChemCatChem 10, 1643 (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)
  • “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)
  • “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)