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 Christian R. Cioce

Christian R. Cioce

Christian R. Cioce




Department of Chemistry
University of South Florida
4202 E. Fowler Avenue, CHE 205
Tampa, FL 33620-5250


(813) 421-5773


Curriculum Vitae

Google Scholar
Research Gate


University of South Florida (2009 - Present)

  • Doctor of Philosophy, Chemistry (Phys./Comp./Theory)
    • Expected May 2015

University of South Florida (2007 - 2009)

  • Bachelor of Science, Chemistry
  • Minor: Biomedical Physics

John Jay College of Criminal Justice (2004 - 2006)

  • Bachelor of Science, Domestic & International Criminal Justice (sought)

Research Highlights

Discovered a new technique for detecting chemical weapons through nanomaterials via DTRA / C.S. Draper Laboratory sponsored research; characterized a new class of radical metal-carbene complex via high performance computing.

Research Interests

CBRN (Chemical, Biological, Radiological, and Nuclear) threat detection and decontamination, defense and national security threat mitigation, nanoporous and solid state materials, Metal-Organic Materials, sensing, sustainable energy, artificial intelligence and machine learning, predictive analytics, high performance computing, big data, data visualization, satellite imaging and cyber/information security, electronic structure methods, statistical mechanics, metal-carbenes, metalloporphyrins.

Featured Article and Artwork in Advances in Engineering

The following is original artwork by Christian Cioce:

Figure Legend: The a-axis view of the 2 × 2 × 2 system cell of the metal-organic material (MOM), dia-7i-1-Co, showing multiple representations of methane (CH4) sorbed in the small pores of the framework. The system is shown using licorice representation with the exception of the central region of the framework and all CH4 molecules are depicted using space filling van der Waals illustration. Atom coloring corresponds to: C = gray, H = silver, O = red, N = blue, Co = pink; with the exception of the CH4 molecules sorbed in the central region which are colored green for visual clarity.

Coding Projects

MPMC (Massively Parallel Monte Carlo) is an open source Monte Carlo package primarily designed for the simulation of liquids, molecular interfaces and functionalized nanoscale materials. It was originally developed by Jon Belof and is now maintained by Christian Cioce along with a group of researchers in the Department of Chemistry and SMMARTT Materials Research Center at the University of South Florida. MPMC has been applied to the scientific research challenges of nanomaterials for clean energy, carbon sequestration and molecular detection. Developed to run efficiently on the most powerful supercomputing platforms, MPMC can scale to extremely large numbers of CPUs or GPUs (with support provided for NVidia's CUDA architecture). Since 2012, MPMC has been released as an open source project under the GNU General Public License v3, and the repository is hosted by the Google Code project.

Advisor : Brian Space


  1. T. Pham, K.A. Forrest, B. Tudor, S.K. Elsaidi, M.H. Mohamed, K. McLaughlin, C.R. Cioce, M.J. Zaworotko, B. Space, "Theoretical Investigations of CO2 and CH4 Sorption in an Interpenetrated Diamondoid Metal-Organic Material", Langmuir, 2014, 30 (22), 6454–6462, [DOI] [Featured Article].
  2. C.R. Cioce, K. McLaughlin, J.L. Belof, B. Space, "A Polarizable and Transferable PHAST N2 Potential for use in Materials Simulation", J. Chem. Theory Comput., 2013, 9 (12), 5550–5557, [DOI].
  3. A.L. Mullen, T. Pham, K.A. Forrest, C.R. Cioce, K. McLaughlin, B. Space, "A Polarizable and Transferable PHAST CO2 Potential for Materials Simulation", J. Chem. Theory Comput., 2013, 9 (12), 5421–5429, [DOI].
  4. K. McLaughlin, C.R. Cioce, T. Pham, J.L. Belof, B. Space, "Efficient Calculation of Many-Body Induced Electrostatics in Molecular Systems", J. Chem. Phys., 2013, 139, 184112, [DOI].
  5. K.A. Forrest, T. Pham, A. Hogan, K. McLaughlin, B. Tudor, P. Nugent, S.D. Burd, A. Mullen, C.R. Cioce, L. Wojtas, M.J. Zaworotko, and B. Space, "Computational Studies of CO2 Sorption and Separation in an Ultramicroporous Metal-Organic Material", J. Phys. Chem. C, 2013, 117 (34), 17687–17698, [DOI].
  6. T. Pham, K. Forrest, K. McLaughlin, B. Tudor, P. Nugent, A. Hogan, A. Mullen, C.R. Cioce, M.J. Zaworotko, B. Space, "Theoretical Investigations of CO2 and H2 Sorption in an Interpenetrated Square-Pillared Metal-Organic Material", J. Phys. Chem. C, 2013, 117 (19), 9970–9982, [DOI].
  7. K. McLaughlin, C.R. Cioce, J.L. Belof, B. Space, "A molecular H2 potential for heterogeneous simulations including polarization and many-body van der Waals interactions", J. Chem. Phys., 2012, 136, 194302, [DOI].
  8. J.L Belof, C.R. Cioce, X. Xu, X.P. Zhang, B. Space, H.L. Woodcock, "Characterization of Tunable Radical Metal-Carbenes: Key Intermediates in Catalytic Cyclopropanation", Organometallics, 2011, 30 (10), 2739–2746, [DOI].

In Preparation

  1. C.R. Cioce, J.L. Belof, B. Space, "Dual Detection & Decontamination Materials for Chemical Nerve Agent Sensing: Computational Insights"
  2. C.R. Cioce, B. Tudor, K. McLaughlin, B. Space, "A PHAST Potential for Heterogeneous Simulation of Methane with Many-Body Interactions"