2010-2014

2000-2009

1990-1999

 

Research articles cited more than 100 times

[1] J.I. Siepmann, 'A method for the direct calculation of chemical potentials for dense chain systems', Mol. Phys. 70, 1145-1158 (1990).
Cited 176 times.

[3] J.I. Siepmann, and D. Frenkel, 'Configurational-bias Monte Carlo - A new sampling scheme for flexible chains', Mol. Phys. 75, 59-70 (1992).
Cited 671 times.

[8] J.I. Siepmann, and I.R. McDonald, 'Monte Carlo simulations of the mechanical relaxation of a self-assembled monolayer', Phys. Rev. Lett. 70, 453-456 (1993).
Cited 101 times.

[14] J.I. Siepmann, S. Karaborni, and B. Smit, 'Simulating the critical properties of complex fluids', Nature 365, 330-332 (1993).
Cited 336 times.

[17] B. Smit, and J.I. Siepmann, 'Computer simulations of the energetics and siting of n-alkanes in zeolites', J. Phys. Chem. 98, 8442-8452 (1994).
Cited 162 times.

[20] B. Smit, S. Karaborni, and J.I. Siepmann, 'Computer simulation of vapor-liquid phase equilibria of n-alkanes', J. Chem. Phys. 102, 2126-2140 (1995); 'Erratum', 109, 352 (1998).
Cited 353 times.

[30] M.G. Martin, and J.I. Siepmann, 'Predicting multicomponent phase equilibria and free energies of transfer for alkanes by molecular simulation', J. Am. Chem. Soc. 119, 8921-8924 (1997).
Cited 100 times.

[32] K.A.M. Thakur, R.T. Kean, E. Hall, J. Kolstad, T. Lindgren, M.A. Doscotch, J.I. Siepmann, and E.J. Munson, 'High-resolution 13C and 1H solution NMR study of poly(lactide)', Macromolecules 30, 2422-2428 (1997).
Cited 141 times.

[33] M.G. Martin, and J.I. Siepmann, 'Transferable potentials for phase equilibria. 1. United-atom description of n-alkanes', J. Phys. Chem. B 102, 2569-2577 (1998).
Cited 766 times.

[35] T.J.H. Vlugt, M.G. Martin, B. Smit, J.I. Siepmann, and R. Krishna, 'Improving the efficiency of the configurational-bias Monte Carlo algorithm', Mol. Phys. 94, 727-733 (1998).
Cited 139 times.

[38] M.G. Martin, and J.I. Siepmann, 'Novel configurational-bias Monte Carlo method for branched molecules. Transferable potentials for phase equilibria. 2. United-atom description of branched alkanes', J. Phys. Chem. B 103, 4508-4517 (1999).
Cited 380 times.

[39] B. Chen, and J.I. Siepmann, 'Transferable potentials for phase equilibria. 3. Explicit-hydrogen description of n-alkanes', J. Phys. Chem. B 103, 5370-5379 (1999).
Cited 126 times.

[44] B. Chen, J. Xing, and J.I. Siepmann, 'Development of polarizable water force fields for phase equilibrium calculations', J. Phys. Chem. B 104, 2391-2401 (2000).
Cited 145 times.

[47] C.D. Wick, M.G. Martin, and J.I. Siepmann, 'Transferable potentials for phase equilibria. 4. United-atom description of linear and branched alkenes and of alkylbenzenes', J. Phys. Chem. B 104, 8008-8016 (2000).
Cited 202 times.

[52] J.J. Potoff, and J.I. Siepmann, 'Vapor-liquid equilibria of mixtures containing alkanes, carbon dioxide and nitrogen', AIChE J. 47, 1676-1682 (2001).
Cited 307 times.

[53] B. Chen, J.J. Potoff, and J.I. Siepmann, 'Monte Carlo calculations for alcohols and their mixtures with alkanes. Transferable potentials for phase equilibria. 5. United-atom description of primary, secondary and tertiary alcohols', J. Phys. Chem. B 105, 3093-3104 (2001).
Cited 301 times.

[72] I-F.W. Kuo, C.J. Mundy, M.J. McGrath, J.I. Siepmann, J. VandeVondele, M. Sprik, J. Hutter, B. Chen, M.L. Klein, F. Mohamed, M. Krack, and M. Parrinello, 'Liquid water from first principles: Investigation of different sampling approaches', J. Phys. Chem. B 108, 12990-12998 (2004).
Cited 211 times.

[73] J.M. Stubbs, J.J. Potoff, and J.I. Siepmann, 'Transferable potentials for phase equilibria. 6. United-atom description for ethers, glycols, ketones and aldehydes', J. Phys. Chem. B 108, 17596-17605 (2004).
Cited 147 times.

[130] C.J. Mundy, I-F.W. Kuo, J. VandeVondele, J. Schmidt, J. Hutter, J.I. Siepmann, and D. Sebastiani, 'Isobaric-Isothermal Molecular Dynamics Simulations Utilizing Density Functional Theory: An Assessment of the Structure and Density of Water at Near-Ambient Conditions', J. Phys. Chem. B 113, 11959-11964 (2009).
Cited 115 times.

As of 1 January 2014

Chemical Theory Center | Chemistry Department | Chemical Engineering and Materials Science Department | Minnesota Supercomputing Institute | University of Minnesota | Internal