J. Ilja Siepmann

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	All	Since 2016
Citations	22192	8025
h-index	72	42
i10-index	213	148

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Co-authors

Christopher J. MundyPacific Northwest National LaboratoryVerified email at pnnl.gov
Michael TsapatsisBloomberg Distinguished Professor, Johns Hopkins UniversityVerified email at jhu.edu
Jeffrey PotoffWayne State UniversityVerified email at wayne.edu
Berend SmitCollege of Chemistry, UC Berkeley and EPFLVerified email at berkeley.edu
Donald TruhlarUniversity of MinnesotaVerified email at umn.edu
Joost VandeVondeleAssociate Director, Head of the Scientific Software and Libraries unit, CSCS, ETH ZurichVerified email at cscs.ch
Juerg HutterProfessor of Chemistry, University of ZurichVerified email at chem.uzh.ch
Daan FrenkelUniversity of Cambridge, UKVerified email at cam.ac.uk
Laura GagliardiThe University of ChicagoVerified email at uchicago.edu
Gregory SchenterPacific Northwest National LaboratoryVerified email at pnnl.gov
Christopher KnightArgonne National LaboratoryVerified email at anl.gov
Randall SnurrNorthwestern UniversityVerified email at northwestern.edu
Douglas TobiasDepartment of Chemistry, UC IrvineVerified email at uci.edu
Christopher J. CramerUniversity of MinnesotaVerified email at umn.edu
Michael DeemProfessor of Bioengineering, Physics & Astronomy, Rice University
JR SchmidtProfessor of Chemistry, UW-MadisonVerified email at chem.wisc.edu

J. Ilja Siepmann

Depts. of Chemistry and of Chem. Eng. & Mats. Sci. and Chemical Theory Center, U. Minnesota

Verified email at umn.edu - Homepage

Statistical mechanics molecular simulation Monte Carlo algorithms force fields applications to phase & sorption equilibria


Title Sort by citations Sort by year Sort by title	Cited by Cited by	Year
Transferable Potentials for Phase Equilibria. 1. United-Atom Description of n-Alkanes MG Martin, JI Siepmann The Journal of Physical Chemistry B 102 (14), 2569-2577, 1998	2372	1998
Vapor–liquid equilibria of mixtures containing alkanes, carbon dioxide, and nitrogen JJ Potoff, JI Siepmann AIChE journal 47 (7), 1676-1682, 2001	1346	2001
Configurational bias Monte Carlo: a new sampling scheme for flexible chains JI Siepmann, D Frenkel Molecular Physics 75 (1), 59-70, 1992	1274	1992
Novel configurational-bias Monte Carlo method for branched molecules. Transferable potentials for phase equilibria. 2. United-atom description of branched alkanes MG Martin, JI Siepmann The Journal of Physical Chemistry B 103 (21), 4508-4517, 1999	858	1999
Monte Carlo calculations for alcohols and their mixtures with alkanes. Transferable potentials for phase equilibria. 5. United-atom description of primary, secondary, and … B Chen, JJ Potoff, JI Siepmann The Journal of Physical Chemistry B 105 (15), 3093-3104, 2001	744	2001
Computer simulations of vapor–liquid phase equilibria of n‐alkanes B Smit, S Karaborni, JI Siepmann The Journal of chemical physics 102 (5), 2126-2140, 1995	579	1995
Transferable potentials for phase equilibria. 4. United-atom description of linear and branched alkenes and alkylbenzenes CD Wick, MG Martin, JI Siepmann The Journal of Physical Chemistry B 104 (33), 8008-8016, 2000	545	2000
Simulating the critical behaviour of complex fluids JI Siepmann, S Karaborni, B Smit Nature 365 (6444), 330-332, 1993	542	1993
Transferable potentials for phase equilibria. 6. United-atom description for ethers, glycols, ketones, and aldehydes JM Stubbs, JJ Potoff, JI Siepmann The Journal of Physical Chemistry B 108 (45), 17596-17605, 2004	417	2004
Liquid water from first principles: Investigation of different sampling approaches IFW Kuo, CJ Mundy, MJ McGrath, JI Siepmann, J VandeVondele, M Sprik, ... The Journal of Physical Chemistry B 108 (34), 12990-12998, 2004	381	2004
Isobaric− isothermal molecular dynamics simulations utilizing density functional theory: an assessment of the structure and density of water at near-ambient conditions J Schmidt, J VandeVondele, IFW Kuo, D Sebastiani, JI Siepmann, J Hutter, ... The Journal of Physical Chemistry B 113 (35), 11959-11964, 2009	336	2009
Transferable potentials for phase equilibria. 3. Explicit-hydrogen description of normal alkanes B Chen, JI Siepmann The Journal of Physical Chemistry B 103 (25), 5370-5379, 1999	321	1999
A method for the direct calculation of chemical potentials for dense chain systems JI Siepmann Molecular Physics 70 (6), 1145-1158, 1990	310	1990
Influence of surface topology and electrostatic potential on water/electrode systems JI Siepmann, M Sprik The Journal of chemical physics 102 (1), 511, 1998	289	1998
Improving the efficiency of the configurational-bias Monte Carlo algorithm TJH Vlugt, MG Martin, B Smit, JI Siepmann, R Krishna Molecular Physics 94 (4), 727-733, 1998	275	1998
Development of polarizable water force fields for phase equilibrium calculations B Chen, J Xing, JI Siepmann The Journal of Physical Chemistry B 104 (10), 2391-2401, 2000	266	2000
High-resolution 13C and 1H solution NMR study of poly (lactide) KAM Thakur, RT Kean, ES Hall, JJ Kolstad, TA Lindgren, MA Doscotch, ... Macromolecules 30 (8), 2422-2428, 1997	266	1997
Computer simulations of the energetics and siting of n-alkanes in zeolites B Smit, JI Siepmann The Journal of Physical Chemistry 98 (34), 8442-8452, 1994	242	1994
Ultra-selective high-flux membranes from directly synthesized zeolite nanosheets MY Jeon, D Kim, P Kumar, PS Lee, N Rangnekar, P Bai, M Shete, ... Nature 543 (7647), 690-694, 2017	218	2017
Transferable potentials for phase equilibria. 7. Primary, secondary, and tertiary amines, nitroalkanes and nitrobenzene, nitriles, amides, pyridine, and pyrimidine CD Wick, JM Stubbs, N Rai, JI Siepmann The Journal of Physical Chemistry B 109 (40), 18974-18982, 2005	213	2005

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