Computational Chemistry and Simulations

Publications and presentations

Reviewed publications

See up-to-date list in the University's Enlighten repository.

Non-reviewed publications

  1. H. M. Senn, A. Türler, D. T. Jost, On-Line Gas-Phase Isothermal Chromatography of Po Chlorides using OLGA III in PSI Annual Report, Paul Scherrer Institute, Villigen, Switzerland, 1994, Annex 3A, p. 84.
  2. H. M. Senn, Transition-Metal-Catalysed Hydroamination of Alkenes: Theoretical Studies Using Ab Initio Molecular Dynamics, Dissertation ETH No. 13972, ETH Zürich, Zürich, 2001.

Invited talks and seminars (academia, conferences)

  1. C4 (Competence Centre for Computational Chemistry) Workshop, ETH Zürich (Switzerland), 1999.
  2. Santaclaus Symposium of the Graduate Program “Methods in Asymmetric Synthesis” (Prof. C. Bolm), RWTH Aachen (Germany), 1999.
  3. Theoretical Chemistry Seminar (Prof. G. Frenking), University of Marburg (Germany), 1999.
  4. Theoretical Chemistry Seminar (Prof. B. A. Hess), University of Erlangen-Nürnberg (Germany), 2000.
  5. Theory Seminar (Prof. W. Thiel), Max Planck Institute for Coal Research, Mülheim an der Ruhr (Germany), 2002.
  6. Inorganic Chemistry Seminar (Prof. H. Berke), University of Zürich (Switzerland), 2003.
  7. Intergroup Seminar Inorganic/Physical Chemistry (Proff. A. Togni/W. van Gunsteren), ETH Zürich (Switzerland), 2003.
  8. Theoretical Chemistry Seminar (Dr. B. Kirchner), University of Bonn (Germany), 2005.
  9. Institute Seminar, Max Planck Institute for Coal Research, Müheim an der Ruhr (Germany), 2005.
  10. Theory Seminar, Laboratory of Quantum Physics (CNRS UMR 5626), University Paul Sabatier, Toulouse (France), 2006.
  11. CECAM Workshop “State of the art, developments, and perspectives of electronic-structure calculations in the frame of the Projector-Augmented Wave (PAW) method”, Lyon (France), 2006.
  12. Gordon Research Conference on Computational Chemistry, Les Diablerets (Switzerland), 2006.
  13. CMM “Users meet Developers” Workshop on QM/MM Simulations, Center for Molecular Modelling, University of Pennsylvania, Philadelphia, PA (USA), 2007.
  14. Theory Seminar (Prof. W. Thiel), Max Planck Institute for Coal Research, Mülheim an der Ruhr (Germany), 2007.
  15. 2nd ScotCHEM Computational Chemistry Symposium, Glasgow (UK), 2008.
  16. ACS National Meeting, Philadelphia, PA (USA), 2008.
  17. Theory Seminar (Prof. R. Hoffmann), Cornell University, Ithaca, NY (USA), 2008.
  18. Theory Seminar (Prof. J. Autschbach), State University of New York, Buffalo, NY (USA), 2008.
  19. 3rd ScotCHEM Computational Chemistry Symposium, Edinburgh (UK), 2009.
  20. Demystifying Molecular Modelling, University of Strathclyde, Glasgow (UK), 2010.
  21. Multiscale Molecular Modelling, Edinburgh (UK), 2010.
  22. Gordon Research Conference on Computational Chemistry, Les Diablerets (Switzerland), 2010.
  23. Department of Physics (Dr. N. Doltsinis), King's College, London (UK), 2010.
  24. School of Chemistry (Prof. M. Bühl), University of St Andrews (UK), 2010.
  25. Theory Seminar (Prof. J. Kästner), University of Stuttgart (Germany), 2011.
  26. Competence Centre for Computational Chemistry (Prof. M. Reiher, Dr. H.-P. Lüthi), ETH Zürich (Switzerland), 2012.
  27. School of Chemistry (Prof. M. Bühl), University of St Andrews (UK), 2012.
  28. Annual Meeting of the Danish Chemical Society, Odense (Denmark), 2012.
  29. Department of Chemistry (Prof. S. P. A. Sauer), University of Copenhagen (Denmark), 2012.

Invited talks and seminars (industry)

  1. Lonza, Visp (Switzerland), 1996.
  2. Novartis Services, Basel (Switzerland), 1997.
  3. Dow Corporate Research & Development, Midland, MI (USA), 2001.
  4. Syngenta, Basel (Switzerland), 2002.

Conference contributions (talks)

  1. ACS National Meeting, Dallas, TX (USA), 1998.
  2. Fall meeting of the New Swiss Chemical Society, Zürich (Switzerland), 1998.
  3. World Congress of Theoretically Oriented Chemists, London (UK), 1999.
  4. ACS National Meeting, Chicago, IL (USA), 2001.
  5. Canadian Society of Chemistry Conference, Vancouver, BC (Canada), 2002.
  6. CCPB Conference “Frontiers of Biomolecular Simulation”, Bristol (UK), 2008.
  7. Computational Molecular Science 2008, Cirencester (UK), 2008.

Conference contributions (posters)

  1. IUPAC Congress, Geneva (Switzerland), 1997.
  2. CECAM Workshop “Reactivity at Surfaces”, Lyon (France), 1997.
  3. Fall meeting of the New Swiss Chemical Society, Lausanne (Switzerland), 1997.
  4. International Conference on Organometallic Chemistry (ICOMC), Munich (Germany), 1998.
  5. Symposium for Theoretical Chemistry, Gwatt (Switzerland), 1998.
  6. Winter school “Modern Methods and Algorithms of Quantum Chemistry”, Jülich (Germany), 2000.
  7. ICQC satellite symposium “DFT 2000”, Menton (France), 2000.
  8. Canadian Society of Chemistry Conference, Vancouver, BC (Canada), 2002.
  9. World Congress of Theoretically Oriented Chemists, Lugano (Switzerland), 2002.
  10. ICQC satellite symposium on Computational Modelling of Catalysis, Mülheim an der Ruhr (Germany), 2003.
  11. International Congress of Quantum Chemistry, Bonn (Germany), 2003.
  12. Symposium for Theoretical Chemistry, Suhl (Germany), 2004.
  13. DFT 2005, Geneva (Switzerland), 2005.
  14. W. E. Heraeus Seminar “Biomolecular Simulation: From Physical Principles to Biological Function”, Bad Honnef (Germany), 2006.
  15. Symposium for Theoretical Chemistry, Erkner (Germany), 2006.
  16. 1st SCOTChem Computational Chemistry Symposium, St. Andrews (UK), 2007.
  17. Biochemical Society/MGMS meeting “Bringing together biomolecular simulation and experimental studies”, Manchester (UK), 2007.
  18. NSCCS User Meeting, London (UK), 2008.
  19. 3rd ScotCHEM Computational Chemistry Symposium, Edinburgh (UK), 2009.
  20. 42nd IUPAC Congress, Glasgow (UK), 2009.
  21. International Symposium on Computational and Theoretical Chemistry, Mülheim an der Ruhr (Germany), 2010.
  22. 4th ScotCHEM Computational Chemistry Symposium, Glasgow (UK), 2010.
  23. Computational Molecular Science 2010, Cirencester (UK), 2010.
  24. 6th ScotCHEM Computational Chemistry Symposium, Glasgow (UK), 2012.
  25. 7th ScotCHEM Computational Chemistry Symposium, St. Andrews (UK), 2013.