publications

publication list simulation

2003

  • Binary Phases of Aliphatic N-Oxides and Water: Force Field Development and Molecular Dynamic Simulation, K.M. Kast, S.M. Kast, R.S. Berry, and J. Brickmann, J.Phys.Chem. A 107, 5342-5351 (2003).

2002

  • Molecular Dynamics Study of Water Pores in a Phospholipid Bilayer, D. Zahn and J. Brickmann, Chem.Phys.Letters 352, 441-446 (2002).

2001

  • Aggretation of Alkane and Fluoralkane Clusters: Molecular Dynamics Simulation Results, R. Friedemann, S. Naumann, J. Brickmann, Phys.Chem.Chem.Phys. 3, 4195-4199 (2001).
  • Computersimulationsmethoden in der Physikalischen Chemie: Große Moleküle, Flüssigkeiten, Festkörper, J. Brickmann, J. Sauer, Bunsenmagazin 2, 31-33 (2001).
  • Quantum-Classical Simulation of Proton Transport via a Phospholipid Bilayer, D. Zahn, J. Brickmann, Phys.Chem.Chem.Phys. 3, 848-852 (2001).

2000

  • Molecular Dynamics Simulations of Tertiary Systems of Cellohexaose/aliphatic N-oxide/Water, R. Marhöfer, K.M. Kast, B. Schilling, H.-J. Bär, S.M. Kast, J. Brickmann, Macromol.Chem.Phys. 201(15), 2003-2007 (2000).

1998

  • Classical Molecular Dynamics Simulations with Quantum Degress of Freedom, J. Brickmann and U. Schmitt, in "Molecular Dynamics: From Classical to Quantum Methods", P.B. Balbuena, J.M. Seminario (Eds.), V.7, Theoretical and Computational Series Elsevierer Science Publisher, Amsterdam, 31-60 (1998).

1997

  • Molecular Dynamics Simulation of the Proton Transport in Water, R.G. Schmidt and J. Brickmann, Ber.Bunsenges.Phys.Chem. 101(12), 1816-1827 (1997).

1996

  • Molecular dynamics simulations of the bulk phases of 4-cyano-4'-n-pentyloxybiphenyl, S. Hauptmann, T. Mosell, S. Reiling, and J. Brickmann, Chem.Phys. 208, 57-71 (1996).
  • Cage-to-Cage Jumps of Xenon in Zeolite NaY: Transmission Coefficients from Molecular Dynamics Simulations, T. Mosell, G. Schrimpf, C. Hahn, and J. Brickmann, J.Phys.Chem. 100, 4571-4581 (1996).
  • Constant temperature molecular dynamics simulations by means of a stochastic collision model. II. The harmonic oscillator, S.M. Kast and J. Brickmann, Chem.Phys. 104, 3732-3741 (1996).

1995

  • Molekulardynamische Simulationen zur Struktur und Funktion von biologischen Membranen, Zeolithkatalysatoren und Polymeren, S. Hauptmann und J. Brickmann, thema Forschung 2/95, 46-56 (1995).
  • Molecular dynamics simulation study of a hydronium ion in liquid water with implementation of the proton transfer by means of a hopping mechanism, R.G. Schmidt and J. Brickmann, Solid State Ionics 77, 3-9 (1995).

1994

  • Molecular Dynamics Simulation of Pattern Formation of Two-Dimensional Model Membranes, M. Yurtsever, Ö. Pamuk, and J. Brickmann, Ber.Bunsenges.Phys.Chem. 98(7), 893-905 (1994).
  • Molecular Dynamics Simulation Study of an n-Decyltrimethylammonium Chloride Micelle in Water, J. Böcker, P. Bopp, and J. Brickmann, J.Phys.Chem. 98(2), 712-717 (1994).
  • Molecular Dynamics Simulations of Liquid Crystalline Order for Tetramers of p-Hydroxybenzoic Acid, J. Huth, T. Mosell, K. Nicklas, A. Sariban, and J. Brickmann, J.Phys.Chem. 98, 7685-7691 (1994).
  • Constant temperature molecular dynamics simulations by means of a stochastic collision model. I. Noninteracting particles, S.M. Kast, K. Nicklas, H.J. Bär, and J. Brickmann, J.Chem.Phys. 100, 566-576 (1994).

1993

  • A Molecular Dynamics Simulation Study of Model Liquid Crystals with Semiflexible Molecules, K. Nicklas, Ph. Bopp, and J. Brickmann, Proceedings of the Meeting of the Society of Polymer Science, Japan (1993).

1992

  • Molecular Dynamics Simulation of a n-Hexadecyltrimethylammonium Chloride Monolayer, J. Böcker, M. Schlenkrich, P. Bopp, and J. Brickmann, J.Phys.Chem. 96(24), 9915-9922 (1992).
  • Molecular Dynamics Simulation of Zeolite NaY. A Study of Structure, Dynamics and Thermalisation of Sorbates, G. Schrimpf, M. Schlenkrich, J. Brickmann, and P. Bopp, J.Phys.Chem. 96, 7404-7410 (1992).

1991

  • Molecular dynamics study of the interface amphiphile molecules / ionic solution, J. Böcker, M. Schlenkrich, K. Nicklas, J. Brickmann, and P. Bopp, J.Chim.Phys. 88, 2535-2541 (1991).

1990

  • Molecular Dynamic Simulation of the Interface Aqueous Ionic Solution / Lipid Membrane, K. Nicklas, J. Böcker, M. Schlenkrich, P. Bopp, and J. Brickmann, in "Software Development in Chemistry 4", J. Gasteiger (Ed.), Springer-Verlag, Berlin, Heidelberg (1990).
  • Structure and Dynamics of Water and Ionic Solutions near Biomembrane Surfaces from Molecular Dynamics Simulations, M. Schlenkrich, K. Nicklas, J. Böcker, P. Bopp, and J. Brickmann, Proceedings of an International Meeting, Nancy, France, 1989; in "Studies in Physical and Theoretical Chemistry 71", J.-L. Rivail (Ed.), Elsevier Science Publishers, 245-252 (1990).
  • A Molecular Dynamics Study of the Interface between a Membrane and Water, M. Schlenkrich, K. Nicklas, J. Brickmann, and P. Bopp, Ber.Bunsenges.Phys.Chem. 94, 133-145 (1990).

1989

  • Molecular Dynamics Simulations on the Role of Water for the Ion Transport through Narrow Transmembrane Channels, M. Schlenkrich, P. Bopp, M. Knoblauch, A. Skerra, and J. Brickmann, Adv.Biotech. 51, 135-146 (1989).

1988

  • Structure and Dynamics of Water on Membrane Surfaces and in Narrow Transmembrane Channels - Molecular Dynamics Simulations, M. Schlenkrich, P. Bopp, A. Skerra, and J. Brickmann, in "Transport through membranes: Carriers, Channels and Pumps", A. Pullman, J. Jortner, and B. Pullman (Eds.), Kluwer Academic Publishers, Dordrecht, Boston, London, 219-235 (1988).
  • Molecular Dynamics Simulation for an Ensemble of Coupled Quantum Two Level Systems with Classical Degrees of Freedom, P. Hofmann and J. Brickmann, J.Chem.Phys. 88, 6501-6511 (1988).

1985

  • Molecular Dynamics Simulations in Systems of Rare Gases Using Axilrod-Teller and Exchange Three-Atom Interactions, E.E. Polymeropoulos, P. Bopp, and J. Brickmann, L. Jansen and R. Block, Phys.Rev. A 31, 3565-3569 (1985).
  • Molecular Dynamics of Ion Transport in Transmembrane Model Channels, E.E. Polymeropoulos and J. Brickmann, Ann.Rev.Biophys.Chem. 14, 315-330 (1985).

1984

  • Molecular Dynamics Simulations of Structure and Dynamics of Noble Gas Clusters and Cluster Ions, J. Brickmann and E.E. Polymeropoulos, in "Physics of Small Particles", 8th Gwatt Workshop, October 18.-20. (1984).

1983

  • Ion Specific Diffusion Rates through Transmembrane Protein Channels: A Molecular Dynamics Study, W. Fischer and J. Brickmann, Biophys.Chem. 18, 323-337 (1983).
  • Molecular Dynamics Study of the Influence of Microscopic Parameters on the Ion Transport Mechanism through Transmembrane Channels, W. Fischer and J. Brickmann, in "Physical Chemistry of Transmembrane Ion Motions", G. Spach (Ed.), Elsevier Science Publishers B.V., Amsterdam, 415-423 (1983).

1982

  • Molecular Dynamics Study of the Formation of Argon Clusters in the Compressed Gas Phase, E.E. Polymeropoulos and J. Brickmann, Chem.Phys.Lett. 92, 59-63 (1982).

1981

  • Molecular Dynamics Study of Ion Transfer in Transmembrane Protein Channels, W. Fischer, J. Brickmann, and P. Läuger, Biophys.Chem. 13, 105-116 (1981).