Christopher R. Iacovella

Biographical Sketch:

Research Assistant Professor — (2012-present) The Cummings Group @ Vanderbilt University The McCabe Group @ Vanderbilt University Postdoctoral Research Associate — (2009-2012) The Cummings Group @ Vanderbilt University Visiting Junior Scientist — (2011) Institute for Condensed Matter Physics @ National Academy of Sciences of Ukraine Ph.D. Chemical Engineering — (2003-2009) The Glotzer Group @ The University of Michigan B.S. Chemical Engineering — (1999-2003) Chemical Engineering @ The University at Buffalo

Selected Publications:

• Quach CD, Gilmer JB, Pert D, Mason-Hogans A, Iacovella CR, Cummings PT, McCabe C (2022) High-Throughput Screening of Tribological Properties of Monolayer Films using Molecular Dynamics and Machine Learning Journal of Chemical Physics, 156, 15, 154902
  
• Shamaprasad P, Frame CO, Moore TC, Yang AH, Iacovella CR, Bouwstra JA, Bunge AL, McCabe C (2022) Using Molecular Simulation to Understand the Skin Barrier Progress in Lipid Research, 88, 101184
  – DOI:10.1016/j.plipres.2022.101184
• Thompson MW, Gilmer JB, Matsumoto RA, Quach CD, Shamaprasad P, Yang AH, Iacovella CR, McCabe C, Cummings PT (2020) Towards Molecular Simulations that are Transparent, Reproducible, Usable by Others, and Extensible (TRUE), Molecular Physics 118, 9-10, e1742938
• Summers AZ, Gilmer JB, Iacovella CR, Cummings PT, McCabe C (2020) MoSDeF, a Python Framework Enabling Large-Scale Computational Screening of Soft Matter: Application to Chemistry-Propery Relationships in Lubricating Monolayer Films, J. Chem. Theory Comput., 16,3,1779-1793
• Klein C, Summers AZ, Thompson MW, Gilmer JB, McCabe C, Cummings PT, Sallai J, Iacovella CR (2019) Formalizing Atom-typing and the Dissemination of Force Fields with Foyer, Computational Materials Science, 167, 215-227
• Moore TC, Hartkamp R, Iacovella CR, Bunge AL, McCabe C (2018) The Influence of Ceramide Tail Length on the Structure of Bilayers Composed of Stratum Corneum Lipids, Biophysical Journal, 114(1) pp113-125
• Black J, Iacovella CR, Cummings PT, McCabe C, (2015) Molecular Dynamics Study of Alkylsilane Monolayers on Realistic Amorphous Silica Surfaces, Langmuir, 31 (10), pp 3086–3093
• Moore TC, Iacovella CR, McCabe C, (2014) Derivation of Coarse-grained Potentials via Multistate Iterative Boltzmann Inversion,The Journal of Chemical Physics, 140, 224104
• French WR, Iacovella CR, Rungger I, Souza A, Sanvito S, Cummings PT (2013) Atomistic Simulations of Highly Conductive Molecular Transport Junctions Under Realistic Conditions, Nanoscale, 5 pp 3654-3659
• Iacovella CR, Keys AS, Glotzer SC  (2011) Self Assembly of Soft Matter Quasicrystals and Their Approximants, Proceedings of the National Academy of Sciences, 108, pp 20935–20940
• Keys AS, Iacovella CR, Glotzer SC, (2011) Characterizing Structure Through Shape Matching and Applications to Self Assembly, Annual Review of Condensed Matter Physics, 2, pp 263–285