Cloud Computing

• P. Kunszt, L. Malmström, N. Fantini, W. Sudholt, M. Lautenschlager, R. Reifler, S. Ruckstuhl, “Accelerating 3D protein modeling using cloud computing: Using Rosetta as a service on the IBM SmartCloud”, in “Workshop on Computing Advances in Life Science, 7th IEEE International Conference on e–Science, Stockholm, December 5-8, 2011”, ISBN 978-1-4673-0026-1, pp. 166 – 169

Grid Computing Journal Articles

• 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
• 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
• 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
• 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

Grid Computing Book Chapter

• 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

Grid Computing Conference Papers

• 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 (presenter)
• 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
• 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
• 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
• 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
• 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 (presenter)

Computational Chemistry

• 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
• 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
• 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
• 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

Theses

• 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
  • Universitäts- und Landesbibliothek Düsseldorf
  • Deutsche Nationalbibliothek
  • Shaker Verlag
• W. Sudholt, “Quantenchemische Berechnung der Reaktivität von Endiinen an ausgewählten Beispielen”, Diploma Thesis, Universität Dortmund, 1996