Most Cited (Web of Science and Google Scholar)

Articles with more than 1,024 citations

TraPPE-1

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). DOI: 10.1021/jp972543+

1129 WoS and 1401 GS citations

 

Articles with more than 512 citations

Configurational-bias Monte Carlo - A new sampling scheme for flexible chains

J.I. Siepmann and D. Frenkel, "Configurational-bias Monte Carlo - A new sampling scheme for flexible chains," Mol. Phys., 75, 59-70 (1992). DOI: 10.1080/00268979200100061

759 WoS and 966 GS citations

Vapor-liquid equilibria

J.J. Potoff and J.I. Siepmann, "Vapor-liquid equilibria of mixtures containing alkanes, carbon dioxide and nitrogen," AIChE J., 47, 1676-1682 (2001). DOI: 10.1002/aic.690470719

522 WoS and 655 GS citations

Novel Configurational Bias

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). DOI: 10.1021/jp984742e

474 WoS and 588 GS citations

 

Articles with more than 256 citations

Monte Carlo Calculations for alcohols

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). DOI: 10.1021/jp003882x

395 WoS and 477 GS citations

Computer simulation of vapor-liquid phase equilibria of n-alkanes

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). DOI: 10.1063/1.469563

382 WoS and 476 GS citations

Simulating the critical properties of complex fluids

J.I. Siepmann, S. Karaborni, and B. Smit, "Simulating the critical properties of complex fluids," Nature, 365, 330-332 (1993). DOI: 10.1038/365330a0

366 WoS and 439 GS citations

Transferable Potentials

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). DOI: 10.1021/jp001044x

271 WoS and 363 GS citations

Liquid water from first priciples

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). DOI: 10.1021/jp047788i

255 WoS and 299 GS citations