David Kofke

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Andrew J. SchultzChemical and Biological Engineering, University at BuffaloVerifisert e-postadresse på buffalo.edu
Jayant K. SinghChair Professor, Chemical Engineering, Indian Institute of TechnologyVerifisert e-postadresse på iitk.ac.in
Sabry G. MoustafaVisiting Assistant Professor, Trinity University, TXVerifisert e-postadresse på buffalo.edu
Jeffrey R ErringtonProfessor in Chemical and Biological Engineering, University at BuffaloVerifisert e-postadresse på buffalo.edu
Donald P. Visco, Jr.Professor of Chemical Engineering,The University of AkronVerifisert e-postadresse på uakron.edu
Peter Bolhuisvan 't Hoff institute for Molecular Sciences, University of AmsterdamVerifisert e-postadresse på uva.nl
Steven J. WeinsteinHarvey J. Palmer Professor in Chemical Engineering, Rochester Institute of TechnologyVerifisert e-postadresse på rit.edu
Michael S SellersChief Technologist, Booz Allen HamiltonVerifisert e-postadresse på buffalo.edu
Peter T. CummingsSchool of Engineering and Physical Sciences, Heriot-Watt UniversityVerifisert e-postadresse på vanderbilt.edu
Nathaniel Steven BarlowAssociate Professor, RITVerifisert e-postadresse på rit.edu
Jhumpa AdhikariProfessor, Department Of Chemical Engineering, IIT BombayVerifisert e-postadresse på che.iitb.ac.in
vipin chaudharyProfessor of Computer Science and Engineering, SUNY BuffaloVerifisert e-postadresse på buffalo.edu
Sang Kyu KwakProfessor, Department of Chemical and Biological Engineering, Korea UniversityVerifisert e-postadresse på korea.ac.kr
Chao FengUniversity at BuffaloVerifisert e-postadresse på buffalo.edu
Scott L. DiamondUniversity of PennsylvaniaVerifisert e-postadresse på seas.upenn.edu
Allan HarveyNational Institute of Standards and TechnologyVerifisert e-postadresse på nist.gov
Philip J. CampUniversity of EdinburghVerifisert e-postadresse på ed.ac.uk
Amparo GalindoImperial College LondonVerifisert e-postadresse på imperial.ac.uk
George JacksonProfessor of Chemical Physics, Imperial College LondonVerifisert e-postadresse på imperial.ac.uk
Peter MonsonDistinguished Professor Emeritus, University of Massachusetts, Department of Chemical EngineeringVerifisert e-postadresse på umass.edu

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David Kofke

Distinguished Professor of Chemical & Biological Engineering, University at Buffalo, SUNY

Verifisert e-postadresse på buffalo.edu - Startside

Molecular modeling statistical mechanics


Tittel Sorter etter sitater Sorter etter år Sorter etter tittel	Sitert av Sitert av	År
Direct evaluation of phase coexistence by molecular simulation via integration along the saturation line DA Kofke The Journal of chemical physics 98 (5), 4149-4162, 1993	804	1993
Thermodynamic and structural properties of model systems at solid-fluid coexistence: I. fcc and bcc soft spheres R Agrawal, DA Kofke Molecular physics 85 (1), 23-42, 1995	495	1995
Gibbs-Duhem integration: a new method for direct evaluation of phase coexistence by molecular simulation DA Kofke Molecular Physics 78 (6), 1331-1336, 1993	448	1993
Monte Carlo simulation of multicomponent equilibria in a semigrand canonical ensemble DA Kofke, ED Glandt Molecular Physics 64 (6), 1105-1131, 1988	310	1988
On the acceptance probability of replica-exchange Monte Carlo trials DA Kofke The Journal of chemical physics 117 (15), 6911-6914, 2002	286	2002
Quantitative comparison and optimization of methods for evaluating the chemical potential by molecular simulation DA Kofke, PT Cummings Molecular Physics 92 (6), 973-996, 1997	260	1997
Monte Carlo study of freezing of polydisperse hard spheres PG Bolhuis, DA Kofke Physical Review E 54 (1), 634, 1996	256	1996
Appropriate methods to combine forward and reverse free-energy perturbation averages N Lu, JK Singh, DA Kofke The Journal of Chemical Physics 118 (7), 2977-2984, 2003	230	2003
Selection of temperature intervals for parallel-tempering simulations A Kone, DA Kofke The Journal of chemical physics 122 (20), 2005	229	2005
Mayer sampling: Calculation of cluster integrals using free-energy perturbation methods JK Singh, DA Kofke Physical review letters 92 (22), 220601, 2004	223	2004
Freezing of polydisperse hard spheres DA Kofke, PG Bolhuis Physical Review E 59 (1), 618, 1999	223	1999
Improving the efficiency and reliability of free energy perturbation calculations using overlap sampling methods N Lu, DA Kofke, TB Woolf Journal of computational chemistry 25 (1), 28-40, 2004	182	2004
Solid-fluid coexistence for inverse-power potentials R Agrawal, DA Kofke Physical review letters 74 (1), 122, 1995	177	1995
Accuracy of free-energy perturbation calculations in molecular simulation. I. Modeling N Lu, DA Kofke The Journal of Chemical Physics 114 (17), 7303-7311, 2001	175	2001
Phase-space overlap measures. I. Fail-safe bias detection in free energies calculated by molecular simulation D Wu, DA Kofke The Journal of chemical physics 123 (5), 2005	173	2005
Coexistence diagrams of mixtures by molecular simulation M Mehta, DA Kofke Chemical engineering science 49 (16), 2633-2645, 1994	157	1994
Surface tension and vapor–liquid phase coexistence of the square-well fluid JK Singh, DA Kofke, JR Errington The Journal of chemical physics 119 (6), 3405-3412, 2003	153	2003
The isotropic–nematic phase transition in uniaxial hard ellipsoid fluids: Coexistence data and the approach to the Onsager limit PJ Camp, CP Mason, MP Allen, AA Khare, DA Kofke The Journal of chemical physics 105 (7), 2837-2849, 1996	150	1996
Calculation of surface tension via area sampling JR Errington, DA Kofke The Journal of chemical physics 127 (17), 2007	129	2007
Solid‐fluid equilibrium: Insights from simple molecular models PA Monson, DA Kofke Advances in Chemical Physics 115, 113-179, 2000	129	2000

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