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Department of Natural Sciences

130710_u_essmann_01_ausschnitt.jpg (DE)

Prof. Dr Ulrich Essmann

Professor for Physics and Computer Science/Vice-Chairperson of the Examination Board


Department of Natural Sciences




A 202


von-Liebig-Straße 20

53359, Rheinbach


Lectures and courses
Fields of research
  • Computer simulation of biological systems
  • Development of methods for molecular simulations
  • Computer simulation of fluid systems
Fields of cooperation
  • Simulation of biological systems
  • Simulation of fluid systems
  • Software development for natural scientific and technical applications
Additional functions (self-administration)
  • Chairman of the Faculty Council
  • Vice-Chairperson of the Examination Board (especially for the study programmes Chemistry with Materials Science, Forensic Sciences, Analytical Chemistry and Quality Assurance, Materials Science and Sustainability Methods)
  • Authorized budget representative of the department


  • P.H. Poole, F. Sciortino, U. Essmann und H.E. Stanley, "Phase behavior of metastable water", Nature, 360, 324 (1992)
  • U. Essmann, S. Glotzer, M. Gyure, B. Ostrovsky, P. H. Poole, S. Sastry, S. Schwarzer, R. Selinger, M. H. Shann, L. S. Shore, H. E. Stanley, E. F. Taylor und P. Trunfio, "Learning Science Through Guided Discovery: Liquid Water & Molecular Networks" in Topics in Modern Statistical Physics: From Phase Transitions to Chaos, G. Györgyi, I. Kondor, L. Sasvári und T. Tél, eds. (World Scientific, Singapore 1992), S. 249.
  • P.H. Poole, U. Essmann, F. Sciortino und H.E. Stanley, "Phase Diagram for Amorphous Solid Water", Phys. Rev. E, 48, 4605 (1993)
  • P.H. Poole, F. Sciortino, U. Essmann und H.E. Stanley, "Spinodal of liquid water", Phys.Rev.E, 48, 3799 (1993)
  • P.H. Poole, F. Sciortino, U. Essmann, H.E. Stanley "Is there a re-entrant spinodal in liquid water?" Journal de physique IV, 3 C1-171 (1993)
  • H.E. Stanley, C.A. Angell, U. Essmann, M. Hemmati, P.H. Poole und F. Sciortino, "Is there a second critical point in liquid water?" Physica A 205, 122 (1994)
  • L. Perera, U. Essmann und M.L. Berkowitz, "The Effect of the Treatment of Long Range Forces on the Dynamics of Ions in Aqueous Solutions", J. Chem. Phys., 102, 450 (1995)
  • U. Essmann, L. Perera und M.L. Berkowitz, "The Origin of the Hydration Interaction of Lipid Bilayers from MD Simulation of Dipalmitoylphosphatidylcholine Membranes in Gel and Liquid Crystalline Phases", Langmuir, 11, 4519 (1995)
  • Ulrich Essmann, Lalith Perera, Max L. Berkowitz, Tom Darden, Hsing Lee und Lee G. Pedersen, "A smooth particle mesh Ewald method", J. Chem. Phys., 103, 8577 (1995)
  • U. Essmann und A. Geiger, "Molecular Dynamics Simulation of Vapor Deposited Amorphous Ice", J. Chem. Phys., 103, 4678 (1995)
  • Francesco Sciortino, Ulrich Essmann, H. Eugene Stanley, Mahin Hemmati, Jun Shao, George H. Wolf und C. Austen Angell, "Crystal Stability Limits at Positive and Negative Pressures, and Crystal-to-Glass Transitions", Phys. Rev. E, 52, 6484 (1995)
  • Xinfu Xia, Lalith Perera, Ulrich Essmann und Max L. Berkowitz, "The Structure of water at platinum/water interfaces Molecular dynamics computer simulations", Surface Science, 335, 401 (1995)
  • L. Perera, U. Essmann und M.L. Berkowitz, "The Role of water in the hydration force acting between lipid bilayers", Langmuir, 12, 2625 (1996)
  • F. Sciortino, P.H. Poole, U. Essmann und H.E. Stanley: "Line of compressibility maxima in the phase diagram of supercooled water", Phys.Rev.E, 55, 727 (1997)
  • L. Perera, U. Essmann und M.L. Berkowitz: "The Role of Water in the Hyrdration Force. Molecular Dynamics Computer Simulations", Progress in Colloid & Polymer Science, 103, 107 (1997)
  • U. Essmann und T.A. Darden: ``Long-Range Electrostatic Effects'' in: P. Charifson "Practical Applications of Computer-Aided Drug Design" Marcel-Dekker, New York, 1997 S. 411-469
  • K.J. Schweighofer, U. Essmann und M.L. Berkowitz: "Simulation of Sodium Dodecyl Sulfate at the Water--Vapor and Water--Carbon Tetrachloride Interfaces at Low Surface Coverage.", J.Phys.Chem., 101, 3793 (1997)
  • K.J. Schweighofer, U. Essmann und M.L. Berkowitz: "Structure and Dynamics of Water in the Presence of Charged Surfactant Monolayers at the Water-CCl4 Interface.", J.Phys.Chem., 101, 10775 (1997)
  • U. Essmann und M.L. Berkowitz: "Dynamical Properties of Phospholipid Bilayers from Computer Simulation", Biophys. J., 76, 2081 (1999)
  • U. Essmann: "Algorithms for the simulation of biological membranes", in: Proceedings of the NIC Workshop Molecular Dynamics on Parallel Computers (1998)


Vorträge und Konferenzbeiträge
  • Poster, GORDON RESEARCH CONFERENCE: Water and Aqueous Solutions, "Molecular Dynamics Simulation of Amorphous Ice", Plymouth, NH.: August 1992
  • Vortrag, 210th AMERICAN CHEMICAL SOCIETY NATIONAL MEETING: "Simulations of Biomembrane - Water Interfaces", Chicago, Il.: August 1995
  • Vortrag, DEUTSCHES KREBSFORSCHUNGSZENTRUM (DKFZ) HEIDELBERG, "Molecular Dynamics Study of the Origin of the Hydration Force between Lipid Bilayeers", Heidelberg: Januar 1996
  • Vortrag, UNIVERSITÄT DORTMUND, INSTITUT FÜR PHYSIKALISCHE CHEMIE, "Molekulardynamische Simulation des Ursprungs der Hydration Force zwischen Lipiddoppelschichten", Dortmund: Januar 1996
  • Vortrag, MULTISCALE PHENOMENA, MODELLING AND COMPUTATION "The Particle Mesh Ewald method", Eilat, Israel: März 1997
  • Vortrag, EUROCONFERENCE: Dynamics of Complex Molecular Systems-Computer Simulations and Experiments "Computer Simulations of Biological Membranes", Vaals, Niederlande: Mai 1998
  • Vortrag, NIC-KFA-Jülich: Molecular Dynamics on Parallel Computers "Algorithms for the simulation of biological membranes", Jülich: Februar 1999