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Katie A. Maerzke, Ph.D. - Publications

Affiliations: 
2010 Chemistry University of Minnesota, Twin Cities, Minneapolis, MN 
Area:
Physical Chemistry; Chemical Physics; Computational Chemistry; Environmental Chemistry; Materials Chemistry
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13 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2021 Maerzke KA, Yoon TJ, Jadrich RB, Leiding JA, Currier RP. First-Principles Simulations of CuCl in High-Temperature Water Vapor. The Journal of Physical Chemistry. B. PMID 33938730 DOI: 10.1021/acs.jpcb.1c00083  0.313
2021 Patel LA, Yoon TJ, Currier RP, Maerzke KA. NaCl aggregation in water at elevated temperatures and pressures: Comparison of classical force fields. The Journal of Chemical Physics. 154: 064503. PMID 33588550 DOI: 10.1063/5.0030962  0.4
2013 Maerzke KA, Goff GS, Runde WH, Schneider WF, Maginn EJ. Structure and dynamics of uranyl(VI) and plutonyl(VI) cations in ionic liquid/water mixtures via molecular dynamics simulations. The Journal of Physical Chemistry. B. 117: 10852-68. PMID 23964666 DOI: 10.1021/Jp405473B  0.307
2013 Gai L, Vogel T, Maerzke KA, Iacovella CR, Landau DP, Cummings PT, McCabe C. Examining the phase transition behavior of amphiphilic lipids in solution using statistical temperature molecular dynamics and replica-exchange Wang-Landau methods. The Journal of Chemical Physics. 139: 054505. PMID 23927268 DOI: 10.1063/1.4816520  0.336
2012 Gai L, Maerzke K, Cummings PT, McCabe C. A Wang-Landau study of a lattice model for lipid bilayer self-assembly. The Journal of Chemical Physics. 137: 144901. PMID 23061859 DOI: 10.1063/1.4754536  0.307
2012 Leverentz HR, Maerzke KA, Keasler SJ, Siepmann JI, Truhlar DG. Electrostatically embedded many-body method for dipole moments, partial atomic charges, and charge transfer. Physical Chemistry Chemical Physics : Pccp. 14: 7669-78. PMID 22425812 DOI: 10.1039/C2Cp24113G  0.445
2011 Maerzke KA, Siepmann JI. Transferable potentials for phase equilibria-coarse-grain description for linear alkanes. The Journal of Physical Chemistry. B. 115: 3452-65. PMID 21395331 DOI: 10.1021/Jp1063935  0.548
2010 Maerzke KA, Siepmann JI. Effects of an applied electric field on the vapor-liquid equilibria of water, methanol, and dimethyl ether. The Journal of Physical Chemistry. B. 114: 4261-70. PMID 20201507 DOI: 10.1021/Jp9101477  0.55
2010 Lewin JL, Maerzke KA, Schultz NE, Ross RB, Siepmann JI. Prediction of Hildebrand solubility parameters of acrylate and methacrylate monomers and their mixtures by molecular simulation Journal of Applied Polymer Science. 116: 1-9. DOI: 10.1002/App.31232  0.546
2009 Maerzke KA, Siepmann JI. Monte Carlo simulations of binary mixtures of nitrotoluene isomers with n-decane. The Journal of Physical Chemistry. B. 113: 13752-60. PMID 19639971 DOI: 10.1021/Jp902631F  0.544
2009 Maerzke KA, Schultz NE, Ross RB, Siepmann JI. TraPPE-UA force field for acrylates and Monte Carlo simulations for their mixtures with alkanes and alcohols. The Journal of Physical Chemistry. B. 113: 6415-25. PMID 19358558 DOI: 10.1021/Jp810558V  0.595
2009 Maerzke KA, Murdachaew G, Mundy CJ, Schenter GK, Siepmann JI. Self-consistent polarization density functional theory: application to argon. The Journal of Physical Chemistry. A. 113: 2075-85. PMID 19260723 DOI: 10.1021/Jp808767Y  0.488
2009 Maerzke KA, McGrath MJ, William Kuo IF, Tabacchi G, Siepmann JI, Mundy CJ. Vapor-liquid phase equilibria of water modelled by a Kim-Gordon potential Chemical Physics Letters. 479: 60-64. DOI: 10.1016/J.Cplett.2009.07.111  0.549
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