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Journal Article (8)

  1. 1.
    Journal Article
    Guzman, H. V.; Tretyakov, N.; Kobayashi, H.; Fogarty, A. C.; Kreis, K.; Krajniak, J.; Junghans, C.; Kremer, K.; Stühn, T.: ESPResSo++ 2.0: Advanced methods for multiscale molecular simulation. Computer Physics Communications 238, pp. 66 - 76 (2019)
  2. 2.
    Journal Article
    Kreis, K.; Kremer, K.; Potestio, R.; Tuckerman, M. E.: From classical to quantum and back: Hamiltonian adaptive resolution path integral, ring polymer, and centroid molecular dynamics. The Journal of Chemical Physics 147 (24), 244104 (2017)
  3. 3.
    Journal Article
    Kreis, K.; Potestio, R.; Kremer, K.; Fogarty, A. C.: Adaptive Resolution Simulations with Self-Adjusting High-Resolution Regions. Journal of Chemical Theory and Computation 12 (8), pp. 4067 - 4081 (2016)
  4. 4.
    Journal Article
    Kreis, K.; Potestio, R.: The relative entropy is fundamental to adaptive resolution simulations. The Journal of Chemical Physics 145 (4), 044104 (2016)
  5. 5.
    Journal Article
    Kreis, K.; Tuckerman, M. E.; Donadio, D.; Kremer, K.; Potestio, R.: From Classical to Quantum and Back: A Hamiltonian Scheme for Adaptive Multiresolution Classical/Path-Integral Simulations. Journal of Chemical Theory and Computation 12 (7), pp. 3030 - 3039 (2016)
  6. 6.
    Journal Article
    Kreis, K.; Fogarty, A. C.; Kremer, K.; Potestio, R.: Advantages and challenges in coupling an ideal gas to atomistic models in adaptive resolution simulations. European Physical Journal 224 (12), pp. 2289 - 2304 (2015)
  7. 7.
    Journal Article
    Kreis, K.; Fogarty, A. C.; Kremer, K.; Potestio, R.: 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 224 (12), pp. 2505 - 2506 (2015)
  8. 8.
    Journal Article
    Kreis, K.; Donadio, D.; Kremer, K.; Potestio, R.: A unified framework for force-based and energy-based adaptive resolution simulations. EPL 108 (3), 30007 (2014)

Thesis - PhD (1)

  1. 9.
    Thesis - PhD
    Kreis, K.: Advanced adaptive resolution methods for molecular simulation. Dissertation, Johannes Gutenberg-Universität, Mainz (2017)
 
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