
Publikationen von Karsten Kreis
Alle Typen
Zeitschriftenartikel (8)
1.
Zeitschriftenartikel
238, S. 66 - 76 (2019)
ESPResSo++ 2.0: Advanced methods for multiscale molecular simulation. Computer Physics Communications 2.
Zeitschriftenartikel
147 (24), 244104 (2017)
From classical to quantum and back: Hamiltonian adaptive resolution path integral, ring polymer, and centroid molecular dynamics. The Journal of Chemical Physics 3.
Zeitschriftenartikel
145 (4), 044104 (2016)
The relative entropy is fundamental to adaptive resolution simulations. The Journal of Chemical Physics 4.
Zeitschriftenartikel
12 (8), S. 4067 - 4081 (2016)
Adaptive Resolution Simulations with Self-Adjusting High-Resolution Regions. Journal of Chemical Theory and Computation 5.
Zeitschriftenartikel
12 (7), S. 3030 - 3039 (2016)
From Classical to Quantum and Back: A Hamiltonian Scheme for Adaptive Multiresolution Classical/Path-Integral Simulations. Journal of Chemical Theory and Computation 6.
Zeitschriftenartikel
224 (12), S. 2505 - 2506 (2015)
Reply to comments by R. Klein on Advantages and challenges in coupling an ideal gas to atomistic models in adaptive resolution simulations. European Physical Journal 7.
Zeitschriftenartikel
224 (12), S. 2289 - 2304 (2015)
Advantages and challenges in coupling an ideal gas to atomistic models in adaptive resolution simulations. European Physical Journal 8.
Zeitschriftenartikel
108 (3), 30007 (2014)
A unified framework for force-based and energy-based adaptive resolution simulations. EPL Hochschulschrift - Doktorarbeit (1)
9.
Hochschulschrift - Doktorarbeit
Advanced adaptive resolution methods for molecular simulation. Dissertation, Johannes Gutenberg-Universität, Mainz (2017)