Department of Natural Sciences
Prof. Dr Ulrich Essmann
Professor for Physics and Computer Science/Vice-Chairperson of the Examination Board
Unit
Department of Natural Sciences
Location
Rheinbach
Room
K 202
Address
von-Liebig-Straße 20
53359, Rheinbach
Telephone
+49 2241 865 592Profile
Lectures and courses
- Physical Fundamentals/Statistics
- Physical Measurement Technology
- Computer Science
- Bioinformatics
- Quality Assurance
- Measuring Techniques (BSc Bio)
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
Curriculum vitae
Persönlicher Werdegang
Studium der Physik an der RWTH Aachen und Universität zu Köln
Abschluss Diplom Physiker, Diplomarbeit über die Messung von Permeabilitäten von biologischen Membranen
Promotion an der Universität Dortmund in Physikalischer Chemie auf dem Gebiet der molekulardynamischen Simulation
Danach 2 Jahre Postdoc an der Boston University. Dort mitverantwortlich für ein NSF Projekt zur Entwicklung von Simulationen und Experimenten für Middle- und High Schools, die aktuelle Forschung für die Schüler transparent machen und sie so für naturwissenschaftliche Forschung begeistern
Anschließend 3 Jahre an der University of North Carolina at Chapel Hill mit Computersimulationen biologischer Systeme beschäftigt.
Diese Arbeit wurde an der GMD, St.Augustin (heute Frauenhofer Institute) fortgesetzt.
Danach mehrere Jahre in der Softwareentwicklung tätig.
In meiner Freizeit fahre ich gerne Fahrrad und betreibe Tai Chi.
Publications
Veröffentlichungen
- 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)
Presentations
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