Publications of Sebastian Fritsch

Fritsch, S.; Potestio, R.; Donadio, D.; Kremer, K.: Nuclear Quantum Effects in Water: A Multiscale Study. Journal of Chemical Theory and Computation 10 (2), pp. 816 - 824 (2014)

Potestio, R.; Fritsch, S.; Espanol, P.; Delgado-Buscalioni, R.; Kremer, K.; Everaers, R.; Donadio, D.: Hamiltonian Adaptive Resolution Simulation for Molecular Liquids. Physical Review Letters 110 (10), 108301 (2013)

Fritsch, S.; Junghans, C.; Kremer, K.: Structure Formation of Toluene around C60: Implementation of the Adaptive Resolution Scheme (AdResS) into GROMACS. Journal of Chemical Theory and Computation 8 (2), pp. 398 - 403 (2012)

Fritsch, S.; Poblete, S.; Junghans, C.; Ciccotti, G.; Delle Site, L.; Kremer, K.: Adaptive resolution molecular dynamics simulation through coupling to an internal particle reservoir. Physical Review Letters 108 (17), 170602 (2012)

Potestio, R.; Fritsch, S.; Espanol, P.; Delgado-Buscalioni, R.; Kremer, K.; Everaers, R.; Donadio, D.: H-AdResS: A Hamiltonian method for adaptive resolution simulations. In Abstracts of Papers of the American Chemical Society, 245, 132-COMP. (2013)

Fritsch, S.: Scale bridging concepts in molecular simulation: coarse-graining and thermodynamic coupling. Dissertation, Johannes Gutenberg-Universität, Mainz (2013)