Journal Publications

  • "Shape selection and multi-stability in helical ribbons," Q. Guo; A. K. Mehta; M. A. Grover; W. Chen; D. G. Lynn; Z. Chen, Applied Physics Letters, 104 (21) (2014). [Link]

  • "Robust multicomponent IR-to-concentration model regression," D. Griffin; M. A. Grover; Y. Kawajiri; R. W. Rousseau, Chemical Engineering Science, 116 (6), 77-90 (2014). [Link]

  • "Application of an Empirical FBRM Model to Estimate Crystal Size Distributions in Batch Crystallization," H. Li; Y. Kawajiri; M. A. Grover; R. W. Rousseau, Crystal Growth & Design, 14 (2), 607-616 (2014). [Link]

  • "Ester Formation and Hydrolysis during Wet–Dry Cycles: Generation of Far-from-Equilibrium Polymers in a Model Prebiotic Reaction," I. Mamajanov; P. J. MacDonald; J. Ying; D. M. Duncanson; G. R. Dowdy; C. A. Walker; A. E. Engelhart; F. M. Fernandez; M. A. Grover; N. V. Hud; F. J. Schork, Macromolecules, 47 (4), 1334 - 1343 (2014). [Link]

  • "Model identification of a template-directed peptide network for optimization in a continuous reactor," A. F. Hernandez; M. J. Wagner; M. A. Grover, Chem. Comm., 50 (29), 3849 - 3851 (2014). [Link]

  • "Secondary structure and domain architecture of the 23S and 5S rRNAs," A. S. Petrov; C. R. Bernier; E. Hershkovits; et al., Nucleic Acids Research, 41(15), 7522-7535 (2013). [Link]

  • "A framework for initial experimental design in the presence of competing prior knowledge," J. T. Vastola, J. Lu, M. J. Casciato, et al., Journal of Quality Technology, 45(4), 301-329 (2013). [Link]

  • "A necessary condition for coexistence of autocatalytic replicators in a prebiotic environment," A. F. Hernandez and M. A. Grover, Life, 3(3), 403-420 (2013). [Link]
  • "An initial experimental design methodology incorporating expert conjecture, prior data, and engineering models for deposition of iridium nanoparticles in supercritical carbon dioxide," M. J. Casciato, J. T. Vastola, J.-C. Lu, D. W. Hess, and M. A. Grover, Industrial & Engineering Chemistry Research, 52(28), 9645-9653 (2013). [Link]
  • "Error estimation properties of Gaussian process models in stochastic simulations," A. F. Hernandez and M. A. Grover, European Journal of Operational Research, 228, 102-110 (2013). [Link]
  • "Development of an empirical method relating crystal size distribution and FBRM measurements," H. Li, M. A. Grover, Y. Kawajiri, and R. W. Rousseau, Chemical Engineering Science, 89, 142-151 (2013). [Link]
  • "State reduction in molecular simulations,” Y. Xue, P. J. Ludovice, M. A. Grover, L. V. Nedialkova, C. J. Dsilva, I. G. Kevrekidis, Computers and Chemical Engineering, 151, 102-110 (2013). [Link]
  • "Local feature analysis for automated coarse-graining of bulk polymer molecular dynamics simulations," Y. Xue, P. J. Ludovice, M. A. Grover, Physical Review E, 86(6) 061802 (2012). [Link]
  • "Synthesis optically active ZnS-carbon nanotube nanocomposites in supercritical carbon dioxide via a single source diethyldithiocarbamate precursor,” M. J. Casciato, G. Levitin, D. W. Hess, M. A. Grover, Industrial & Engineering Chemistry Research, 51(36), 11710-11716 (2012). [Link]
  • “Synthesis of Cu2ZnSnS4 (CZTS) micro- and nanoparticles via a continuous flow supercritical carbon dioxide process,” M. J. Casciato, G. Levitin, D. W. Hess, M. A. Grover, ChemSusChem, 5(7), 1186-1189 (2012). [Link]
  • "Universal sequence replication, reversible polymerization and early functional biopolymers: A model for the initiation of prebiotic sequence evolution,” S. I. Walker, M. A. Grover, and N. V. Hud, PLoSONE, 7(4) e34166 (2012).  [Link]
  • "Controlling the properties of silver nanoparticles deposited on surfaces using supercritical carbon dioxide for surface-enhanced Raman spectroscopy,” M. J. Casciato, G. Levitin, D. W. Hess, and M. A. Grover, Journal of Nanoparticle Research, 14(5) 836 (2012). [Link]
  • "Optimization of a carbon dioxide-assisted nanoparticle deposition process using sequential experimental design with adaptive design space,” M. J. Casciato, S. Kim, J. C. Lu, D. W. Hess, and M. A. Grover, Industrial & Engineering Chemistry Research, 51(11) 4363-4370 (2012). [Link]
  • "Modeling effects of oxygen inhibition in mask based stereolithography,” A. S. Jariwala, F. Ding, A. Boddapati, V. Breedveld, M. A. Grover, C. L. Henderson, D. W. Rosen, Rapid Prototyping Journal, 17(3) 168-175 (2011). [Link]
  • Multiscale modeling of branch length in butyl acrylate solution polymerization: molecular versus continuum kinetics,” J. A. Rawlston, F. J. Schork, M. A. Grover, Macromolecular Theory and Simulations, 20(8), 645-659 (2011). [Link]
  • "Comparison of sampling strategies for Gaussian process models, with application to nanoparticle dynamics," A. F. Hernandez and M. A. Grover, Industrial & Engineering Chemistry Research, 50(3), 1379-1388 (2011). [Link]
  • “Gel time prediction of multifunctional acrylates using a kinetics model," A. Boddapati, S. B. Rahane, R. P. Slopek, V. Breeveld, C. L. Henderson, M. A. Grover, Polymer, 52, 866-873 (2011). [Link]
  • “Step growth control in template-directed polymerization,” X. Li, A. F. Hernandez, M. A. Grover, N. V. Hud, and D. G. Lynn, Heterocycles, 82(2) 1477-1488 (2011). [Link]
  • “Stochastic dynamic predictions using Gaussian process models for nanoparticle synthesis," A. F. Hernandez and M. A. Grover, Computers & Chemical Engineering, 34(12) (2010) 1953-1961. [Link]
  • Multiscale modeling of branch length in butyl acrylate solution polymerization,” J. A. Rawlston, F. J. Schork, and M. A. Grover, Macromolecular Theory and Simulation, 19(6), 309-322 (2010). [Link]
  • "Optimization of a chemical vapor deposition process using sequential experimental design," P. J. Wissmann and M. A. Grover, Industrial & Engineering Chemistry Research, 49 (2010) 5694-5701. [Link]
  • “Principal component analysis for estimating population density from chord-length density,” M. A. Grover, S. C. Barthe, and R. W. Rousseau, AIChE Journal 55(9) (2009) 2260-2270. [Link]
  • “A modified moving horizon estimator for in situ sensing of a chemical vapor deposition process,” R. Xiong and M. A. Grover, IEEE Transactions on Control Systems Technology, 17(5) (2009) 1228-1235. [Link]
  • "A new approach for batch process optimization using experimental design," P. J. Wissmann and M. A. Grover, AIChE Journal, 55(2) (2009) 342-353. [Link]
  • "Observation of polymorphic change through analysis of FBRM data: transformation of paracetamol from Form I to Form II," S. C. Barthe, M. A. Grover, and R. W. Rousseau, Crystal Growth & Design, 8(9) (2008) 3316-3322. [Link]
  • "A kinetic Monte Carlo study on the nucleation mechanisms of oil-soluble initiators in the miniemulsion polymerization of styrene," J. Rawlston, J. Guo, F. J. Schork, and M. A. Grover, Journal of Polymer Science Part A Polymer Chemistry, 46(18) (2008) 6114-6128. [Link]

·         "In situ estimation of thin film growth rate, complex refractive index and roughness during chemical vapor deposition using a modified moving horizon estimator," R. Xiong and M. Grover, Journal of Applied Physics, 103(12) (2008) 124901. [Link]

·         "Influence of polymerization procedure on polymer topology and other structural properties in highly branched polymers obtains by A2+B3 approach," C. Oguz, M. A. Gallivan, S. Cakir, E. Yilgor, and I. Yilgor, Polymer, 49 (2008) 1414-1424. [Link]

  • "Optimization of a thin film process using a dynamic model extracted from molecular simulations," C. Oguz and M. A. Gallivan, Automatica, 44(8) (2008) 1958-1969. [Link]

·         “Interpretation of molecular structure and kinetics in melt condensation of A2 oligomers, B3 monomers, and monofunctional reagents,” C. Oguz, S. Unal, T. E. Long, and M. A. Gallivan, Macromolecules, 40 (2007) 6529-6534. [Link]

·         “An extended Kalman filter for in-situ sensing of yttria-stabilized zirconia in chemical vapor deposition,” R. Xiong, P. J. Wissmann, and M. A. Gallivan, Computers and Chemical Engineering, 30 (2006) 1657-1669. [Link]

·         “A data-driven approach for reduction of molecular simulations,” C. Oguz and M. A. Gallivan, International Journal of Robust and Nonlinear Control, 15 (2005), 727-743. [Link]

·         "Understanding the structure development in hyperbranched polymers prepared by oligomeric A2+B3 approach: comparison of experimental results and simulations," S. Unal, C. Oguz, E. Yilgor, M. A. Gallivan, T. E. Long and I. Yilgor, Polymer, 46 (2005), 4533-4543. [Link]

·         "An estimation study for control of a lattice model of thin film deposition," M. A. Gallivan, Computers & Chemical Engineering 29 (2005), 761-769. [Link]

·         "Effective transition rates for epitaxial growth using fast modulation," M. A. Gallivan, D. G. Goodwin, and R. M. Murray, Physical Review B, 70 (2004) 045409. [Link]

·         "Reduction and identification methods for Markovian control systems, with application to thin film deposition," M. A. Gallivan and R. M. Murray, International Journal of Robust and Nonlinear Control (special issue: Control of Complex Process Systems), 14 (2004) 113-132. [Link]

·         "Design of a film surface roughness-minimizing molecular beam epitaxy process by reduced-order modeling of epitaxial growth," M. A. Gallivan and H. A. Atwater, Journal of Applied Physics, 95 (2004) 483-489. [Link]

·         "An evaluation of the bounce-back boundary condition for lattice Boltzmann simulations," M. A. Gallivan, D. R. Noble, J. G. Georgiadis, and R. O. Buckius, International Journal of Numerical Methods in Fluids, 25 (1997) 249-263. [Link]

Peer-Reviewed Conference Proceedings

  • “MDP Based Optimal Control for a Colloidal Self-Assembly System”, Yuzhen Xue, Daniel Beltran-Villegas, Michael A. Bevan, Martha A. Grover, American Control Conference, June 2013, Washington DC, pp. 3334-3339.

  • “Colloidal Self-Assembly with Model Predictive Control”, Xun Tang, Yuzhen Xue, and Martha A. Grover, American Control Conference, June 2013, Washington DC, pp. 4159-4164.

  • “Optimization of carbon dioxide-assisted nanoparticle deposition process with uncertain design space”, M. J. Casciato, S. Kim, J. C. Lu, D. W. Hess, M. A. Grover, Proceedings of Process Systems Engineering, Singapore, July 2012.
  • “State reduction in molecular simulations”, Y. Xue, P. J. Ludovice, M. A. Grover, L. Nedialkova, C. Dsilva, Y. Kevrekidis, Proceedings of Chemical Process Control VIII, Savannah, GA, January 2012.
  • “Optimal design for active self-assembly system”, Y. Xue and M. A. Grover, Proceedings of the American Control Conference, pp. 3269-3274, San Francisco, CA, June 2011.

·         "Dynamic coarse graining in complex system simulation", Y. Xue, P. J. Ludovice and M. A. Grover, Proceedings of the American Control Conference, pp. 5031-5036, San Francisco, CA, June 2011.

·         “Local feature analysis based clustering algorithm with application to polymer model reduction,” Y. Xue, P. J. Ludovice, and M. A. Grover, Proceedings of the IEEE Conference on Decision and Control, pp. 1687–1692, Atlanta, GA, December 2010.

·         “Stochastic dynamic predictions using kriging for nanoparticle synthesis,” A. F. Hernandez and M. A. Grover, Proceedings of the 10th International Symposium of Process Systems Engineering, Bahia, Brazil, August 2009.

·         "Real-time monitoring of thin film microstructure in chemical vapor deposition using a modified moving horizon estimation," R. Xiong and M. Grover Gallivan, Proceedings of the International Federation on Automatic Control (2008). Abstract

·         "An exploratory study of discrete time state-space models using kriging," A. Hernandez Moreno and M. Grover Gallivan, Proceedings of the 2008 American Control Conference (2008) 3993-3998. Abstract

·         “Identification and Evaluation of a Dynamic Model for a Thin Film Deposition Process,” C. Oguz and M. A. Gallivan, Proceedings of the 2007 American Control Conference, (2007) 4124-4129. Abstract

·         “Moving horizon estimation for in situ monitoring of chemical vapor deposition process,” R. Xiong and M. A. Gallivan, Proceedings of the 2007 American Control Conference, (2007) 3648-3653. Abstract

·         “Identification of a dynamic model for a thin film deposition process using a self-organizing map,” C. Oguz and M. A. Gallivan, Proceedings of the 2006 IEEE International Joint Conference on Neural Networks (2006). Abstract

·         “An extended Kalman filter for in-situ sensing of yttria-stabilized zirconia in chemical vapor deposition,” R. Xiong, P. J. Wissmann, and M. A. Gallivan, Proceedings of Chemical Process Control 7 (2006). Abstract PDF

·         “Modeling and characterization of dielectrophoretic assembly process for nanobelts,” P. J. Hesketh, M. A. Gallivan, S. Kumar, C. J. Erdy, and Z. L. Wang, Proceedings of the 2005 ASME International Mechanical Engineering Congress and Exposition (2005). Abstract PDF

·         “Complexity reduction of a thin film deposition model using a trajectory based nonlinear model reduction technique,” P. Wolfrum, A. Vargas, M. A. Gallivan, and F. Allgower, Proceedings of the 2005 American Control Conference, (2005) 2566-2571. Abstract PDF

·         “The application of dielectrophoresis to nanowire sorting and assembly for sensors,” P. J. Hesketh, M. A. Gallivan, S. Kumar, C. J. Erdy, and Z. L. Wang, Proceedings of the 2005 Mediterranean Conference on Control and Automation (2005) 153-158. Abstract PDF

·         “Dynamics of materials processing at the molecular scale,” C. Oguz and M. A. Gallivan, Proceedings of the 2004 International Symposium on Nonlinear Theory and its Applications (2004) 135-138. Abstract PDF

·         ''Low-order dynamics in a lattice model of thin film deposition, using nonlinear principal component analysis,'' M. A. Gallivan, in Proceedings of Dynamics and Control of Process Systems (2004). Abstract PDF

·         "Optimization, estimation, and control for kinetic Monte Carlo simuations of thin film deposition," M. A. Gallivan, in Proceedings of the Conference on Decision and Control (2003) 3437-3442. Abstract PDF

·         "Model reduction and system identification for master equation control systems," M. A. Gallivan and R. M. Murray, in Proceedings of the American Control Conference (2003) 3561-3566. Abstract PDF

·         "MBE and modeling studies of pulsed growth on Ge(001)," M. A. Gallivan and H. A. Atwater, in Morphological and Compositional Evolution of Thin Films, vol. 749, Materials Research Society (2002). Abstract PDF

·         "Modeling and control of thin film morphology using unsteady processing parameters: problem formulation and initial results," M. A. Gallivan, D. G. Goodwin, and R. M. Murray, in Proceedings of the 40th IEEE Conference on Decision and Control (2001) 1570-1576. Abstract PDF

·         "The dynamics of thin film growth: a modeling study," M. A. Gallivan, R. M. Murray, and D. G. Goodwin, in CVD XV: Proceedings of the Fifteenth Symposium on Chemical Vapor Deposition, (M. D. Allendorf and M. L. Hitchman, eds.), vol. 616, Electrochemical Society (2000) 168-175. Abstract PDF

·         "A stagnation-flow MOCVD reactor for intelligent deposition of YBCO thin films," A. B. Tripathi, D. A. Boyd, M. A. Gallivan, H. A. Atwater, R. M. Murray, and D. G. Goodwin, in CVD XV: Proceedings of the Fifteenth Symposium on Chemical Vapor Deposition, (M. D. Allendorf and M. L. Hitchman, eds.), vol. 616, Electrochemical Society (2000) 240-247.

·         "Kinetic Monte Carlo simulations of dynamic phenomena in thin film growth," M. A. Gallivan, R. M. Murray, and D. G. Goodwin, in New Methods, Mechanisms, and Models of Vapor Deposition (H. N. G. Wadley, G. H. Gilmer, and W. G. Barker, eds.), vol. 2000-13, Materials Research Society (2000) 61-66. Abstract PDF

·         "Real-time in-situ curvature measurement during growth of epitaxial YBCO films on MgO, D. A. Boyd, M. A. Gallivan, A. B. Tripathi, A. J. Rosakis, D. G. Goodwin, and H. A. Atwater, in New Methods, Mechanisms, and Models of Vapor Deposition (H. N. G. Wadley, G. H. Gilmer, and W. G. Barker, eds.), vol. 2000-13, Materials Research Society (2000) 109-114.

·         "A design study for thermal control of a CVD reactor for YBCO," M. A. Gallivan, D. G. Goodwin, and R. M. Murray, in Proceedings of the 1998 IEEE International Conference on Control Applications (1998) 1194-1199. Abstract PDF

Martha Gallivan's Ph.D. Thesis

·         Modeling and Control of Epitaxial Thin Film Growth. Abstract PDF