Andrew Paluch, Ph.D.

Portrait of Dr. Andrew Paluch

Associate Professor

64 H Engineering Building

Research Interests

  • Phase-equilibria thermodynamics
  • Statistical Mechanics
  • Separation Processes (Extraction, Crystallization, Absorption)
  • Molecular Simulation (molecular dynamics and Monte Carlo)


  • Ph.D., Chemical Engineering
    University of Notre Dame
  • M.S., Chemical Engineering
    University of Notre Dame
  • B.S., Chemical Engineering
    SUNY University at Buffalo
    June 2008
  • B.A., Mathematics
    SUNY University at Buffalo
    June 2008


  • Miami University, Department of Chemical and Paper Engineering, Assistant Professor, August 2013–Present
  • University of Notre Dame, Department of Chemical and Biomolecular Engineering Graduate Research Assistant, July 2008–April 2013
  • Sandia National Laboratories, Department of Surface and Interface Sciences Graduate Research Assistant, May–August 2009
  • University of Alaska Fairbanks, Geophysical Institute Undergraduate Research Assistant, June–August 2006 and June–August 2007
  • SUNY University at Buffalo, Department of Chemical and Biological Engineering Undergraduate Research Assistant, August 2006–June 2008

Research Projects

  • Molecular simulation

Honors and Awards

  • AIChE Separations Division Graduate Student Research Award (Crystallization and Evaporation), 2013
  • AIChE Computational Molecular Science and Engineering Graduate Student Research Award, 2011
  • Arthur J. Schmitt Presidential Fellowship, University of Notre Dame, 2008–2013
  • Barry M. Goldwater Scholar, 2007–2008
  • James W. and Nancy A. McLernon Superior Scholar Award, University at Buffalo, 2008
  • University at Buffalo School of Engineering and Applied Science Senior Scholarship, 2008
  • American Chemical Society (Western New York Local Section), Outstanding College Student of the Year, 2008

Principal Publications

  • Andrew S. Paluch, Sreeja Parameswaran, Shuai Liu, Anasuya Kolavennu, and David L. Mobley (2015). Predicting the excess solubility of acetanilide, acetaminophen, phenacetin, benzocaine, and caffeine in binary water/ethanol mixtures via molecular simulation.  THE JOURNAL OF CHEMICAL PHYSICS 142, 044508  
  • Paluch, A. S.; Maginn, E. J. Efficient Estimation of the Equilibrium Solution Phase Fugacity of Soluble Nonelectrolyte Solids in Binary Solvents via Molecular Simulation. Ind. Eng. Chem. Res., 2013, 52, 13743—13760. 
  • A. S. Paluch and E. J. Maginn, “Predicting the Solubility of Solid Phenanthrene: A Combined Molecular Simulation and Group Contribution Approach,” American Institute of Chemical Engineers Journal, 2013, doi: 10.1002/aic.14020 
  • A. S. Paluch, C. A. Vitter, J. K. Shah, and E. J. Maginn, “A comparison of the solvation thermodynamics of amino acid analogues in water, 1-octanol, and 1-n-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ionic liquids by molecular simulation,” Journal of Chemical Physics, 2012, 137, 184504. 
  • A. S. Paluch, D. L. Mobley, and E. J. Maginn, “Small Molecule Solvation Free Energy: Enhanced Conformational Sampling Using Expanded Ensemble Molecular Dynamics Simulation,” Journal of Chemical Theory and Computation, 2011, 7, 2910-2918. 
  • A. S. Paluch, J. K. Shah, and E. J. Maginn, “Efficient Solvation Free Energy Calculations of Amino Acid Analogs by Expanded Ensemble Molecular Simulation,” Journal of Chemical Theory and Computation, 2011, 7, 1394-1403.
  • A. S. Paluch, D. D. Cryan, and E. J. Maginn, “Predicting the Solubility of the Sparingly Soluble Solids 1,2,4,5-Tetramethylbenzene, Phenanthrene, and Fluorene in Various Organic Solvents by Molecular Simulation,” Journal of Chemical & Engineering Data, 2011, 56, 1587-1595. 
  • A. S. Paluch, S. Jayaraman, J. K. Shah, and E. J. Maginn, “A method for computing the solubility limit of solids: Application to sodium chloride in water and alcohols,” Journal of Chemical Physics, 2010, 133, 124504.
  • Paluch, A. S.; Shen, V. K.;Errington, J. R. Comparing the Use of Gibbs Ensemble and Grand—Canonical Transition—Matrix Monte Carlo Methods to Determin Phase-Equilibria. Ind. Eng. Chem. Res., 2008, 47, 4533—4541.

Invited Presentations

  • A. S. Paluch, “Advanced Drug Discovery via Molecular Simulation,” Department of Chemical Engineering, Kettering University, Flint, MI, February 5, 2013 
  • A. S. Paluch, “Advanced Drug Discovery via Molecular Simulation,” Department of Chemistry, Valparaiso University, Valparaiso, IN, December 3, 2012 
  • A. S. Paluch, “Solubility Calculations: Marrying Free Energy Calculations with Solution Theory,” 2012 Workshop on Free Energy Methods in Drug Design, Vertex Pharmaceuticals, Cambridge, MA, May 22, 2012