Publications by Schwörer, Magnus

2016

Schwörer, Magnus; Wichmann, Christoph; Gawehn, Erik; Mathias, Gerald (2016): Simulated Solute Tempering in Fully Polarizable Hybrid QM/MM Molecular Dynamics Simulations. In: Journal of Chemical theory and Computation, Vol. 12, No. 3: pp. 992-999

Schwörer, Magnus; Wichmann, Christoph; Tavan, Paul (2016): A polarizable QM/MM approach to the molecular dynamics of amide groups solvated in water. In: Journal of Chemical Physics, Vol. 144, No. 11, 114504

2013

Schwörer, Magnus; Breitenfeld, Benedikt; Tröster, Philipp; Bauer, Sebastian; Lorenzen, Konstantin; Tavan, Paul; Mathias, Gerald (25. June 2013): Coupling density functional theory to polarizable force fields for efficient and accurate Hamiltonian molecular dynamics simulations. In: Journal of Chemical Physics, Vol. 138, 244103 [PDF, 1MB]