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Profile
| Academic position | Full Professor |
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| Research fields | Biochemistry,Bioinformatics and Theoretical Biology |
| Keywords | Molecular dynamics simulation techniques |
Current contact address
| Country | Switzerland |
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| City | Zürich |
| Institution | ETH Zürich |
| Institute | Laboratorium für Physikalische Chemie |
Host during sponsorship
| Start of initial sponsorship | 01/01/2003 |
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Programme(s)
| 2002 | Max Planck Research Award Programme |
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Publications (partial selection)
| 2008 | Daan P. Geerke, Stephan Thiel, Walter Thiel, Wilfred F. van Gunsteren: QM-MM Interactions in Simulations of Liquid Water using Combined Semi-Empirical/Classical Hamiltonians. In: Phys. Chem. Chem. Phys, 2008, 297-302 |
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| 2007 | Daan Geerke: Classical Hamiltonians in molecular simulation: force-field development and explicit inclusion of electronic polarization and quantum effects. ETH Zurich, 2007 |
| 2007 | D.P. Geerke, St. Thiel, W. Thiel, W. F. van Gunsteren: Combined QM/MM molecular dynamics study on a condensed-phase SN2 reaction at saturated nitrogen: the effect of explicitly including solvent polarization. In: J. Chem. Theory Comput. , 2007, 1499-1509 |
| 2007 | D.P. Geerke, W.F. van Gunsteren: On the calculation of atomic forces in classical simulation using the charge-on-spring method to explicitly treat electronic polarisation. In: J. Chem. Theory Comput., 2007, 2128-2137 |