Research interests
I completed my undergraduate studies of Physics at the University of Erlangen-Nuremberg and at Imperial College London in 2011. In my diploma thesis, which I carried out at the Max Planck Institute for the Science of Light in the area of Quantum Information Theory, I developed a novel classification scheme for hybrid qudit-qumode quantum entanglement. In 2012 I started my PhD at the Max Planck Institute for Polymer Research in Mainz under the supervision of Prof. Kurt Kremer and Dr. Raffaello Potestio. It is funded by the "Graduate School of Excellence Materials Science in Mainz" and focuses on adaptive resolution methods for Molecular Dynamics and Monte Carlo simulations. Such schemes allow for an efficient simulation of molecular fluids by simultaneously treating different subregions of the system at different levels of detail.
From January until September 2015 I stayed as a visiting researcher at New York University in the group of Prof. Mark Tuckerman. This project focuses on the development of new adaptive quantum/classical simulation algorithms.
Furthermore, I am one of the developers of ESPResSo++, a simulation software package for soft matter research developed in the MPIP Mainz. It is the main platform for performing my research.
If you would like to learn more about me, have a look at my website.
Curriculum Vitae
Publications
- Karsten Kreis and Raffaello Potestio, The relative entropy is fundamental to adaptive resolution simulations , J. Chem. Phys. 145, 044104 (2016), DOI: 10.1063/1.4959169
- Karsten Kreis, Raffaello Potestio, Kurt Kremer, and Aoife C. Fogarty, Adaptive Resolution Simulations with Self-Adjusting High-Resolution Regions, J. Chem. Theory Comput. 12, 4067 (2016), DOI: 10.1021/acs.jctc.6b00440 [featured on the journal cover]
- Karsten Kreis, Mark E. Tuckerman, Davide Donadio, Kurt Kremer, and Raffaello Potestio, From Classical to Quantum and Back: A Hamiltonian Scheme for Adaptive Multiresolution Classical/Path-Integral Simulations, J. Chem. Theory Comput. 12, 3030 (2016), DOI: 10.1021/acs.jctc.6b00242
- Karsten Kreis, Aoife C. Fogarty, Kurt Kremer, and Raffaello Potestio, Advantages and challenges in coupling an ideal gas to atomistic models in adaptive resolution simulations, Eur. Phys. J. Special Topics 224, 2289 (2015), DOI: 10.1140/epjst/e2015-02412-1
- Karsten Kreis, Davide Donadio, Kurt Kremer, and Raffaello Potestio, A unified framework for force-based and energy-based adaptive resolution simulations, EPL 108, 30007 (2014), DOI: 10.1209/0295-5075/108/30007
- Karsten Kreis and Peter van Loock, Classifying, quantifying, and witnessing qudit-qumode hybrid entanglement, Phys. Rev. A 85, 032307 (2012), DOI: 10.1103/PhysRevA.85.032307