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Student Presentations

[1] Pedersen, R.D.; Stubbs, J.M. `Molecular simulations of DNA hybridization and melting using a coarse-grained model', Fifth Midwest Undergraduate Computational Chemistry Consortium Conference, Minneapolis, MN (7/2005)

[2] Peters, J.F.; Stubbs, J.M. `Optimizing extraction of ethyl benzene from poly(ethylene glycol) using supercritical carbon dioxide: A Monte Carlo study', Fifth Midwest Undergraduate Computational Chemistry Consortium Conference, Minneapolis, MN (7/2005)

Presentations

[1] Stubbs, J.M.; Siepmann, J.I. `Monte Carlo simulations of 1-hexanol in n-hexane: The formation of hydrogen-bonded clusters in n-hexane rich solution', 33rd Midwest Theoretical Chemistry Conference, Iowa City, IA (5/2000)

[2] Stubbs, J.M.; Siepmann, J.I. `Monte Carlo calculations for the aggregation of alkanols in nonpolar solvents', 2001 Midwest Thermodynamics & Statistical Mechanics Conference, East Lansing, MI (5/2001)

[3] Stubbs, J.M. `Monte Carlo simulations of 1-hexanol in n-hexane: The formation of hydrogen-bonded clusters in n-hexane rich solution', Theoretisch-Chemisches Seminar, Lehrstuhl für Theoretische Chemie, Ruhr-Universität Bochum, Bochum, Germany (10/2001)

[4] Stubbs, J.M.; Siepmann, J.I.; Wick, C.D.; Zhuravlev, N.D. `Predicting phase equilibria using configurational-bias Monte Carlo simulations in the Gibbs ensemble', 2002 AIChE Annual Meeting, Session on `Obtaining physical and chemical properties for process design by computational chemistry', Indianapolis, IN (11/2002)

[5] Stubbs, J.M.; Siepmann, J.I. `Aggregation of hexanol isomers in n-hexane', 2003 Midwest Thermodynamics & Statistical Mechanics Conference, Columbus, OH (5/2003)

[6] Stubbs, J.M.; Siepmann, J.I. `Aggregation of hexanol isomers and of 2-ethoxyethanol in n-hexane', 226th ACS National Meeting, New York, NY (9/2003)

[7] Stubbs, J.M.; Siepmann, J.I. `Vibrational spectra of 1-hexanol in n-hexane via ab initio molecular dynamics', 226th ACS National Meeting, New York, NY (9/2003)

[8] Stubbs, J.M.; Siepmann, J.I.; Wick, C.D.; Zhang, L.; Potoff, J. `Extension of the TraPPE force field to nitrogen functionalities', 2003 AIChE Annual Meeting, Session on `Development and validation of intermolecular potential functions I', San Francisco, CA (11/2003)

[9] Stubbs, J.M.; Siepmann, J.I. `Aggregation of hexanol isomers and of 2-alkoxyethanols in n-hexane: Aggregation, steric hindrance, inter- and intramolecular hydrogen bonding and vibrational spectroscopy', Poster, Tenth International Conference on Properties and Phase Equilibria for Product and Process Design, Snowbird, UT (5/2004)

[10] Stubbs, J.M.; Siepmann, J.I. `Vibrational spectra of 1-hexanol in n-hexane using a multiscale modeling approach', 2004 Midwest Thermodynamics & Statistical Mechanics Conference, Buffalo, NY (6/2004)

[11] Stubbs, J.M.; Siepmann, J.I. `Interfacial properties of aqueous surfactant mixtures: A Monte Carlo study', 231st ACS National Meeting, Atlanta, GA (3/2006)

[12] Stubbs, J.M.; Tito, N.B. `Modeling heterogeneous melting equilibria of surface-immobilized DNA using Monte Carlo molecular simulation', 2009 Midwest Thermodynamics & Statistical Mechanics Conference, Detroit, MI (5/2009)