Discrete atoms and molecules interact to form macromolecules and even larger mesoscale assemblies, ultimately yielding macroscopic structures and properties.  A quantitative relationship between the nanoscale discrete interactions and the macroscale properties is required to design, optimize, and control such systems; yet in many applications, predictive models do not exist or are computationally intractable.

The Grover group is dedicated to the development of tractable and practical approaches for the engineering of macroscale behavior via explicit consideration of molecular and atomic scale interactions.  We focus on applications involving the kinetics of self-assembly, specific those in which methods from non-equilibrium statistical mechanics do not provide closed form solutions.  General approaches employed include stochastic modeling, model reduction, machine learning, experimental design, robust parameter design, and estimation. 

CURRENT PROJECTS

• Robust parameter design of a supercritical carbon dioxide process for nanoparticle synthesis
• Chemical evolution and design of intelligent materials
• Feedback control of colloidal self-assembly for photonic materials
• Modeling and control of crystallization: application to nuclear waste and pharmaceuticals
  
• Dynamics and control of dissociated neural cultures

Nanoparticle synthesis and robust process design

Graduate students: Michael Casciato

Collaborators: Prof. Dennis Hess, Prof. JC Lu, Dr. Galit Levitin, Dr. Fang-Fang Wang

Related publication: "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).

Chemical evolution and design of intelligent materials

Graduate students: Christine He, Ming-Chien Hsieh, Sheng-Sheng Yu

Postdoc: Andres Hernandez Moreno

Collaborators: Prof. Nick Hud, Prof. David Lynn, Prof. Joe Schork

NSF/NASA Center for Chemical Evolution website

Link to public essay on design of intelligent materials

Related publications:

• S. I. Walker, M. A. Grover, and N. V. Hud, "Universal sequence replication, reversible polymerization and early functional biopolymers: A model for the initiation of prebiotic sequence evolution,” PLoSONE, 7(4) e34166 (2012).  Link to full text, Link to movies
• X. Li, A. F. Hernandez, M. A. Grover, N. V. Hud, and D. G. Lynn, Step growth control in template-directed polymerization,” Heterocycles, 82(2) 1477-1488 (2011). 
  

Recent presentation: "Model for the emergence of the first functional polymers during sequence independent replication," S. I. Waler, N. V. Hud, M. A. Grover, ACS National Meeting, San Diego, CA, March 2012.  Watch the conference presentation

Collaborators: Prof. Michael Bevan, Prof. David Ford, Prof. Ben Shapiro

Related presentation:  "Feeback control of electric-field mediated self-assembly," M. A. Grover, Y. Xue, D. M. Ford, J. J. Juarez, T. Edwards, M. A. Bevan, ACS National Meeting, San Diego, CA. March 2012.

Related publication: "Feedback control of colloidal self-assembly,” J. J. Juarez and M. A. Bevan, Advanced Functional Materials (2012).

Modeling and control of crystallization

Graduate students: Huayu Li, Dan Griffin

Collaborators: Prof. Yoshiaki Kawajiri, Prof. Ronald Rousseau

Related publication: M. A. Grover, S. C. Barthe, and R. W. Rousseau, "Principal component analysis for estimating population density from chord-length density," AIChE Journal, 55(9), 2260-2270 (2009).

Related presentation: “Interpretation of FBRM Data at High Crystal Density,” Huayu Li, M. A. Grover, Y. Kawajiri, M. Grover, AIChE Annual Meeting, Minneapolis, MN, October 2011.

Dynamics and control of dissociated neural cultures

Graduate student: Michelle Kuykendal (GT-BioE)

Collaborators: Prof. Steve Potter, Prof. Steve DeWeerth

Related presentation: M. L. Kuykendal, G. S. Guvanasen, M. A. Grover, S. M. Potter, S. P. DeWeerth, "Real-time characterization of neuronal response for selective stimulation," 7th International Meeting on Substrate-Integrated Microelectrodes (MEA 2010), Reutlingen, Germany, June 2010.