Paul Tavan
Affiliations: | Ludwig-Maximilians-University Munich, München, Bayern, Germany |
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Sign in to add trainee| Helmut Grubmüller | post-doc | 1994-1998 | Ludwig-Maximilians-University Munich |
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| Schwörer M, Wichmann C, Tavan P. (2016) A polarizable QM/MM approach to the molecular dynamics of amide groups solvated in water Journal of Chemical Physics. 144: 114504-114504 |
| Lorenzen K, Mathias G, Tavan P. (2015) Linearly scaling and almost Hamiltonian dielectric continuum molecular dynamics simulations through fast multipole expansions Journal of Chemical Physics. 143: 184114-184114 |
| Schwörer M, Lorenzen K, Mathias G, et al. (2015) Utilizing fast multipole expansions for efficient and accurate quantum-classical molecular dynamics simulations Journal of Chemical Physics. 142: 104108 |
| Lorenzen K, Wichmann C, Tavan P. (2014) Including the Dispersion Attraction into Structure-Adapted Fast Multipole Expansions for MD Simulations. Journal of Chemical Theory and Computation. 10: 3244-3259 |
| Tröster P, Tavan P. (2014) The Microscopic Physical Cause for the Density Maximum of Liquid Water. Journal of Physical Chemistry Letters. 5: 138-142 |
| Bauer S, Tavan P, Mathias G. (2014) Electrostatics of proteins in dielectric solvent continua. II. Hamiltonian reaction field dynamics. Journal of Chemical Physics. 140: 104103 |
| Bauer S, Mathias G, Tavan P. (2014) Electrostatics of proteins in dielectric solvent continua. I. An accurate and efficient reaction field description Journal of Chemical Physics. 140: 104102 |
| Tröster P, Lorenzen K, Tavan P. (2014) Polarizable six-point water models from computational and empirical optimization. Journal of Physical Chemistry B. 118: 1589-1602 |
| Bauer S, Tavan P, Mathias G. (2014) Exploring Hamiltonian dielectric solvent molecular dynamics Chemical Physics Letters. 612: 20-24 |
| Tröster P, Lorenzen K, Schwörer M, et al. (2013) Polarizable water models from mixed computational and empirical optimization. Journal of Physical Chemistry B. 117: 9486-9500 |