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Potoff Research Group

Department of Chemical Engineering and Materials Science, Wayne State University

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Presentations

This is a list of presentations given by my research group. Presenters are underlined.
  1. Navendu Bhatnagar, Ganesh Kamath and Jeffrey J. Potoff, "Development of Acccurate Intermolecular Potentials for Mono and Dinitro Aromatic Compounds," 760a, Minneapolis, MN, 10/20/2011.
  2. Jason R. Mick, Eyad Hailat, Vincent Russo, Loren Schwiebert, and Jeffrey J. Potoff, "GPU Accelerated Monte Carlo Simulations in the Gibbs and Canonical Ensembles," AICHE Annual Meeting, 72d, Minneapolis, MN, 10/17/2011.

  3. MaryBeth H. Ketko, Ganesh Kamath and Jeffrey J. Potoff, "Development of an Optimized Intermolecular Potential for Sulfur Dioxide,"  AICHE Annual Meeting, 289i, Minneapolis, MN, 10/18/2011.

  4. Navendu Bhatnagar and Jeffrey J. Potoff, "Direct Calculation of Octanol-Water Partition Coefficients from Adaptive Force Bias Molecular Dynamics Simulations," AICHE Annual Meeting, 379b, Minneapolis, MN, 10/18/2011.

  5. Zeena K Issa, Navendu Bhatnagar, Charles W. Manke, Bhanu P. Jenna and Jeffrey J. Potoff, "Understanding the Role of Calcium in Membrane Fusion," AICHE Annual Meeting, 721f, Minneapolis, MN, 10/20/2011.

  6. Navendu Bhatnagar, Charles Manke, and Jeffrey Potoff, “ Effect of Calcium on the Interactions Between Synaptotagmin-I with Membrane Bilayers, AICHE Annual Meeting, 250f, Salt Lake City, UT, 11/9/2010.

  7. Navendu Bhatnagar, Charles Manke, and Jeffrey Potoff, “Development of the TraPPE Force Field for Phospholipids,” AICHE Annual Meeting, 686e, Salt Lake City, UT, 11/11/2010

  8. Navendu Bhatnagar, Charles Manke, and Jeffrey Potoff, “Energetics of SNARE Dissociation,” AICHE Annual Meeting, 184p, Salt Lake City, UT, 11/8/2010.

  9. Navendu Bhatnagar, Charles Manke, and Jeffrey Potoff, “ Effect of Calcium on the Interactions Between Synaptotagmin-I with Membrane Bilayers, Midwest Thermodynamics and Statistical Mechanics Conference, Notre Dame, 6/3/2010.

  10. Nandhini Sokkalingam, Veera Boddu, Stephen Maloney and Jeffrey J. Potoff, “Prediction of environemental impact of energetic materials in silico,” Partners in Environmental Technology Technical Symposium and Workshop, Washington D.C. 2009.

  11. Robson Penguin, Ganesh Kamath, Jeffrey J. Potoff and Sandro R. P. da Rocha, “All-atom force field for the prediction of vapor-liquid equilibria and interfacial properties of HFA-134a”, Midwest Thermodynamics and Statistical Mechanics Conference, Wayne State University, 2009.

  12. Zeena Issa, Charles Manke, Bhanu Jena and Jeffrey J. Potoff, “ Ca2+-dimethylphosphate complex formation: Insights into membrane fusion,” Midwest Thermodynamics and Statistical Mechanics Conference, Wayne State University, 2009.

  13. Nandhini Sokkalingam and Jeffrey J. Potoff, “Thermophysical property predictions of energetic materials from atomistic molecular dynamics simulations,” AICHE annual meeting, Nashville, TN, 541g, 2009.

  14. Nandhini Sokkalingam and Jeffrey J. Potoff, “Prediction of environmental impact of energetic materials in silico,” AICHE annual meeting, Nashville, TN, 563c, 2009.

  15. Zeena K. Issa, Charles W. Manke, Bhanu P. Jena and Jeffrey J. Potoff, “Interactions of Ca2+with phospholipids: Insights into mechanisms of membrane fusion,” AICHE annual meeting, Nashville, TN, 102d, 2009.

  16. Nandhini Sokkalingam and Jeffrey J. Potoff, “Prediction of environmental impact of high-energy materials with atomistic computer simulations,” 102ndAir & Waste Management Conference, Detroit, MI 2009.

  17. Nandhini Sokkalingamand Jeffrey J. Potoff, “Prediction of environmental impact of high-energy materials with atomistic computer simulations,” 26thArmy Science Conference, Orlando, FL, 2008.

  18. MaryBeth H. Ketkoand Jeffrey J. Potoff, “Binding energetic of dimethyl ether and sulfur dioxide using both ab initio and molecular simulation methods,” AICHE annual meeting, Philadelphia, PA, 533c, 2008.

  19. Nandhini Sokkalingam, MaryBeth H. Ketko, and Jeffrey J. Potoff, “Thermophysical property prediction of energetic materials with atomistic computer simulations,” AICHE annual meeting, Philadelphia, PA, 716e, 2008.

  20. Zeena K. Issa, Charles W. Manke, Bhanu P. Jena, and Jeffrey J. Potoff, “Ca2+-Dimethylphosphate complex formation: Providing insight into Ca2+mediated local dehydration and membrane fusion in cells,” AIChE annual meeting, Philadelphia, PA, 321h, 2008.

  21. Jeffrey J. Potoff, Ganesh Kamath and Nandhini Sokkalingam, “Application of Gibbs Ensemble Monte Carlo to the Calculation of Adsorption Isotherms for Toxic Materials,” AIChE annual meeting, Salt Lake City, UT, 62g, 2007.

  22. Nandhini Sokkalingamand Jeffrey J. Potoff, “Thermophysical Property Prediction of Energetic Materials with Atomistic Computer Simulations,” AIChE annual meeting, Salt Lake City, UT, 628b, 2007.

  23. Zeena Issa, Charles Manke, Bhanu Jena and Jeffrey J. Potoff, “Calcium Bridging Leading to the Dehydration of Phospholipid head groups,” AIChE annual meeting, Salt Lake City, UT, 205c, 2007

  24. Damien Bernard-Brunel and Jeffrey J. Potoff, “Repulsive Term in the Lennard-Jones Potential and the Phase Behavior of Organic Compounds,” AIChE annual meeting, Salt Lake City, UT, 469f, 2007.

  25. Ganesh Kamath, MaryBeth Ketkoand Jeffrey J. Potoff, “Development of Atomistic Force Fields for Binary Mixture Vapor-Liquid Equilibria Calculations,” AICHE annual meeting, San Francisco, CA, 321r, 2006.

  26. Damien Brunard-Brunel and Jeffrey J. Potoff, “Repulsive Term in the Lennard-Jones Potential and Phase Behavior of Organic Compounds,” Midwest Statistical mechanics and Thermodynamics Conference, Iowa State University, May 2007.

  27. Nandhini Sokkalingam and Jeffrey J. Potoff, “Monte Carlo Simulation of Chemical Warfare Agent Adsorption in Graphitic Carbons,” Midwest Statistical mechanics and Thermodynamics Conference, Iowa State University, May 2007.

  28. Damien Brunard-Bruneland Jeffrey J. Potoff, “Effect of Torsional Potential on the Phase Behavior of Organic Compounds,” AICHE annual meeting, San Francisco, CA, 321s, 2006.

  29. MaryBeth Ketkoand Jeffrey J. Potoff, “Effect of Partial Charge Parameterization on the Phase Behavior of Dimethylether,” AI HE annual meeting, San Francisco, CA, 663c, 2006.

  30. Ganesh Kamath, Jeffrey J. Potoff, “Molecular Modeling of Chemical Warfare Agents,” ACS Spring meeting, Atlanta, GA, session COMP 344, 2006.

  31. Ganesh Kamathand Jeffrey J. Potoff, “Molecular Modeling of Phase Behavior and Microstructure of Acetone-Chloroform-Methanol Binary Mixtures,” ACS Spring meeting, Atlanta, GA, session COMP 196, 2006.

  32. Ganesh Kamathand Jeffrey J. Potoff, “Phase Equilibria of Mixtures of Amines with Alcohols, Ketones and Nitriles,” Midwest Statistical Mechanics and Thermodynamics Conference, University of Akron, May 2006.

  33. Ganesh Kamathand Jeffrey J. Potoff, “Phase Equilibria of Mixtures of Amines with Alcohols, Ketones and Nitriles,” Midwest Statistical Mechanics and Thermodynamics Conference, University of Akron, May 2006.

  34. Damien A. Bernard-Bruneland Jeffrey J. Potoff, “Effect of Torsional Potential on the Phase Behavior of Organic Compounds,” Midwest Statistical Mechanics and Thermodynamics Conference, University of Akron, May 2006.

  35. Mary Beth Ketkoand Jeffrey J. Potoff, “Effect of Partial Charge Parameterization on the Phase Behavior of Dimethyl Ether,” Midwest Statistical Mechanics and Thermodynamics Conference, University of Akron, May 2006.

  36. Jeffrey J. Potoff, Maria Coscione, Ganesh Kamath, Lech Czerwinski, “Molecular Modeling of Chemical Warfare Agents,” AICHE annual meeting, Cincinnati, OH, session 160c, 2005.

  37. Jeffrey J. Potoff, Nusrat Lubna, Ganesh Kamath, “Extension of the Trappe-Ua Force Field to Thiols, Sulfides and Disulfides,” AICHE annual meeting, Cincinnati, OH, session 148b, 2005.

  38. Jeffrey J. Potoff, Ganesh, Kamath, Nusrat Lubna, “Molecular Simulation of Hydrogen Sulfide”, AICHE annual meeting, Cincinnati, OH, session 422b, 2005.

  39. Ganesh Kamath, Jeffrey J. Potoff, “Molecular Modeling of Phase Behavior and Structural Properties for Acetone-Chloroform-Methanol Binary Mixtures,” AICHE annual meeting, Cincinnati, OH, session 138g, 2005.

  40. Ganesh Kamath, Jeffrey J. Potoff, “Molecular Modeling of Phase Behavior and Structural Properties for Acetone-Chloroform-Methanol Binary Mixtures,” Midwest Statistical Mechanics and Thermodynamics Conference, Purdue University, June 2005.

  41. Ganesh Kamath, Jeffrey J Potoff, “Phase Behavior and Structure of Acetic Acid,” AIChE Annual Meeting, Austin TX, 2004.

  42. Stubbs, J.M.; Siepmann, J.I.; Wick, C.D.; Zhang, L.; Potoff, J. “Extension of the TraPPE force field to nitrogen functionalities,” AIChE Annual Meeting, San Francisco, CA, 2003.

  43. Susan Weitz, Jeffrey J. Potoff, “An Improved Intermolecular Force Field for Alkenes,” AIChE Annual Meeting, San Francisco, CA, session 235f, 2003.

  44. Susan L. Weitz, and Jeffrey J. Potoff, “An Improved Intermolecular Force Field for Ethene,” Midwest Thermodynamics and Statistical Mechanics Conference, Ohio State University, May 2003.

  45. Ganesh Kamath, Feng Cao and Jeffrey J. Potoff, “Vapor-Liquid Equilibria of Acetic Acid,” Midwest Thermodynamics and Statistical Mechanics Conference, Ohio State University, May 2003.

  46. Jeffrey J. Potoff, Feng Cao, Jacob Urquidi and Chris Benmore, “The Structure and Phase Behavior of Acetic Acid: A Neutron Diffraction and Monte Carlo Simulation Study,” AICHE annual meeting, Indianapolis, IN, session 50a, 2002.

  47. Huang-Chin Hung, Jeffrey J. Potoffand Gina S. Shreve, “Micelle Structure and Solute Specificity of Dodecylbenzylsulfonate-Hydrocarbon Micelles,” AICHE annual meeting, Indianapolis, IN, session 62a, 2002.

  48. J. Ilja Siepmann, Collin D. Wick, John M. Stubbs, Nikolaj D. Zhuravlev, Bin Chen, and Jeffrey J. Potoff, “Predicting Phase Equilibria Using Configurational-bias Monte Carlo Simulations in the Gibbs Ensemble,” AICHE annual meeting, Indianapolis, IN, session 248c, 2002.

  49. J. J. Potoffand J. I. Siepmann, “Vapor-Liquid Phase Equilibria for Linear and Branched Alkane Monolayers Physisorbed on Au(111),” Midwest Thermodynamics and Statistical Mechanics Conference, Pittsburgh, PA, 2002.

  50. Jeffrey J. Potoffand J. Ilja Siepmann, “Vapor-Liquid Equilibria of Physisorbed Alkane Monolayers,” AICHE annual meeting, Reno, NV, session 138g, 2001.

  51. J. Ilja Siepmann, Collin D. Wick, B. Chen, and Jeffrey J. Potoff, “Development of the TraPPE Force Field for Phase Equilibrium Calculations,” AICHE annual meeting, Los Angeles, CA, session 93f, 2000.

  52. Jeffrey J. Potoffand J. Ilja Siepmann, “Monte Carlo Simulation of Mixtures Containing Supercritical Carbon Dioxide, Dinitrogen and Propane,” AICHE annual meeting, Los Angeles, CA, session 121d, 2000.

  53. Jeffrey J. Potoff, John M. Stubbs and J. Ilja Siepmann, “Monte Carlo Simulations of Supercritical Fluid Extraction Systems,” AICHE annual meeting, Los Angeles, CA, session 110c, 2000.

  54. Jeffrey J. Potoffand J. Ilja Siepmann, “Vapor-Liquid Phase Equilibria and Critical Phenomena in Langmuir Monolayers,” AICHE annual meeting, Los Angeles, CA, session 97d, 2000.

  55. Jeffrey J. Potoffand J. Ilja Siepmann, “Vapor-Liquid Equilibria of Physisorbed Alkane Monolayers,” AICHE annual meeting, Los Angeles, CA, session 94k, 2000.

  56. Jeffrey J. Potoffand J. Ilja Siemann, “Phase behavior of alkanes Physisorbed on a Metal Surface, “ APS March Meeting, Minneapolis, MN, 2000.

  57. Jeffrey J. Potoffand J. Ilja Siepmann, “Monte Carlo Calculations for Ternary Mixtures of Polar and Non-Polar Components,” Midwest Thermodynamics and Statistical Mechanics Conference, Minneapolis, MN, 2000.

  58. Jeffrey R. Errington, A. Z. Panagiotopoulosand Jeffrey J. Potoff, “Gibbs99: Methods and Potentials for Simulations of Phase Equilibria,” AICHE annual meeting, Dallas, TX, session 73i, 1999.

  59. Jeffrey J. Potoffand A. Z. Panagiotopoulos, “Critical Curves and Phase Behavior of Mixtures from Histogram-Reweighting Monte Carlo Simulaitons,” AICHE annual meeting, Miami, FL, session 72f, 1999.

  60. G. Orkoulas, Jeffrey J. Potoff and A. Z. Panagiotopoulos, “Finite-size Scaling and Approach to Criticality in Monte Carlo Simulations,” AICHE annual meeting, Chicago, IL , session 201a, 1996.