Wibke Sudholt

 
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Publications

Grid Computing

  1. W. Sudholt, K. K. Baldridge, D. Abramson, C. Enticott, S. Garic,
    "Parameter scan of an effective group difference pseudopotential using grid computing",
    New Generation Computing 22 (2004) 137-146
  2. W. Sudholt, K. K. Baldridge, D. Abramson, C. Enticott, S. Garic,
    "Applying grid computing to the parameter sweep of a group difference pseudopotential",
    in "Computational Science - ICCS 2004: 4th International Conference, Kraków, Poland, June 6-9, 2004, Proceedings, Part I", M. Bubak, G. D. van Albada, P. M. A. Sloot, J. J. Dongarra (Eds.), Springer, 2004,
    Lecture Notes in Computer Science 3036 (2004) 148-155
  3. K. K. Baldridge, J. P. Greenberg, W. Sudholt, S. Mock, I. Altintas, C. Amoreira, Y. Potier, A. Birnbaum, K. Bhatia, M. Taufer,
    "The computational chemistry prototyping environment",
    Proceedings of the IEEE 93 (2005) 510-521
  4. W. Sudholt, K. K. Baldridge, D. Abramson, C. Enticott, S. Garic, C. Kondric, and D. Nguyen,
    "Application of grid computing to parameter sweeps and optimizations in molecular modeling",
    Future Generation Computer Systems 21 (2005) 27-35
  5. K. K. Baldridge, W. Sudholt, J. P. Greenberg, C. Amoreira, Y. Potier, I. Altintas, A. Birnbaum, D. Abramson, C. Enticott, S. Garic,
    "Cluster and grid infrastructure for computational chemistry and biochemistry",
    in "Parallel Computing for Bioinformatics and Computational Biology: Models, Enabling Technologies, and Case Studies", A. Y. Zomaya (Ed.), Wiley, 2006,
    ISBN 978-0-471-75650-7, pp. 531-550
  6. I. Altintas, A. Birnbaum, K. K. Baldridge, W. Sudholt, M. Miller, C. Amoreira, Y. Potier, B. Ludaescher,
    "A framework for the design and reuse of grid workflows",
    in "Scientific Applications of Grid Computing: First International Workshop, SAG 2004, Beijing, China, September 20-24, 2004", P. Herrero, M. S. Perez, V. Robles (Eds.), Springer, 2005,
    Lecture Notes in Computer Science 3458 (2005) 119-132
  7. K. K. Baldridge, K. Bhatia, J. P. Greenberg, B. Stearn, S. Mock, W. Sudholt, S. Krishnan, A. Bowen, C. Amoreira, Y. Potier,
    "GEMSTONE: Grid Enabled Molecular Science Through Online Networked Environments",
    in "Grid Computing in Life Sciences: Proceedings of the 2nd International Life Science Grid Workshop, LSGRID 2005, Biopolis, Singapore, 5-6 May 2005", T. T. Wee, P. Arzberger, A. Konagaya (Eds.), World Scientific, 2006,
    ISBN 978-981-270-378-1, pp. 155-175
  8. W. Sudholt, I. Altintas, K. Baldridge,
    "Scientific workflow infrastructure for computational chemistry on the grid",
    in "Computational Science - ICCS 2006: 6th International Conference, Reading, UK, May 28-31, 2006, Proceedings, Part III", V. N. Alexandrov, G. D. van Albada, P. M. A. Sloot, J. Dongarra (Eds.), Springer, 2006,
    Lecture Notes in Computer Science 3993 (2006) 69-76
  9. B. Schuller, B. Demuth, H. Mix, K. Rasch, M. Romberg, S. Sild, U. Maran, P. Bala, E. del Grosso, M. Casalegno, N. Piclin, M. Pintore, W. Sudholt, K. Baldridge,
    "Chemomentum - UNICORE 6 based infrastructure for complex applications in science and technology",
    in "Euro-Par 2007 Workshops Parallel Processing: HPPC 2007, UNICORE Summit 2007, and VHPC 2007, Rennes, France, August 28-31, 2007, Revised Selected Papers", L. Bougé, M. Forsell, J. Larsson Träff, A. Streit, W. Ziegler, M. Alexander, S. Childs (Eds.), Springer, 2008,
    Lecture Notes in Computer Science 4854 (2008) 82-93
  10. T. C. Peachey, N. T. Diamond, D. A. Abramson, W. Sudholt, A. Michailova, S. Amirriazi,
    "Fractional factorial design for parameter sweep experiments using Nimrod/E",
    Scientific Programming 16 (2008) 217-230
  11. N. Abdennadher, P. Engel, D. Feichtinger, D. Flanders, P. Flury, S. Haug, P. Jermini, S. Maffioletti, C. Pautasso, H. Stockinger, W. Sudholt, M. Thiemard, N. Williams, C. Witzig,
    "Initializing a national grid infrastructure: Lessons learned from the Swiss National Grid Association seed project",
    in "8th IEEE International Symposium on Cluster Computing and the Grid (CCGrid 2008), Lyon, France, May 19-22, 2008", T. Priol, L. Lefevre, R. Buyya (Eds.), IEEE Computer Society, 2008,
    ISBN 978-0-7695-3156-4, pp. 169-176

Computational Chemistry

  1. A. L. Sobolewski, W. Sudholt, W. Domcke,
    "Ab initio investigation of reaction pathways for intramolecular charge transfer in dimethylanilino derivatives",
    J. Phys. Chem. A 102 (1998) 2716-2722
  2. W. Sudholt, A. L. Sobolewski, W. Domcke,
    "Ab initio study of the amino group twisting and wagging reaction paths in the intramolecular charge transfer of 4-(N,N-dimethylamino)benzonitrile",
    Chem. Phys. 240 (1999) 9-18
  3. W. Sudholt, A. Staib, A. L. Sobolewski, W. Domcke,
    "Molecular-dynamics simulations of solvent effects in the intramolecular charge transfer of 4-(N,N-dimethylamino)benzonitrile",
    Phys. Chem. Chem. Phys. 2 (2000) 4341-4353
  4. A. B. J. Parusel, W. Rettig, W. Sudholt,
    "A comparative theoretical study on DMABN: Significance of excited state optimized geometries and direct comparison of methodologies",
    J. Phys. Chem. A 106 (2002) 804-815

Theses

  1. W. Sudholt,
    "Quantenchemische Berechnung der Reaktivität von Endiinen an ausgewählten Beispielen",
    Diploma Thesis, Universität Dortmund, 1996
  2. W. Sudholt,
    "Quantenchemische Berechnungen und Molekulardynamik-Simulationen zum photoinduzierten intramolekularen Ladungstransfer in 4-(N,N-Dimethylamino)benzonitril und seinen Derivaten",
    Dissertation, Heinrich-Heine-Universität Düsseldorf, 2001; Shaker Verlag Aachen, 2002