Force Fields for Studying the Structure and Dynamics of Ionic Liquids: A Critical Review of Recent Developments von Dommert, Florian, Wendler, Katharina, Berger, Robert, Delle Site, Luigi, Holm, Christian

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Multiscale simulation of soft matter: from scale bridging to adaptive resolution von Praprotnik, Matej, Site, Luigi Delle, Kremer, Kurt

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On the formalization of asynchronous first passage algorithms von Sbailò, Luigi, Delle Site, Luigi

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Molecular dynamics in a grand ensemble: Bergmann-Lebowitz model and adaptive resolution simulation von Agarwal, Animesh, Zhu, Jinglong, Hartmann, Carsten, Wang, Han, Site, Luigi Delle

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Chemical potential of liquids and mixtures via adaptive resolution simulation von Agarwal, Animesh, Wang, Han, Schütte, Christof, Delle Site, Luigi

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Grand-Canonical-like Molecular-Dynamics Simulations by Using an Adaptive-Resolution Technique von Wang, Han, Hartmann, Carsten, Schütte, Christof, Delle Site, Luigi

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Derivation of Coarse Grained Models for Multiscale Simulation of Liquid Crystalline Phase Transitions von Mukherjee, Biswaroop, Delle Site, Luigi, Kremer, Kurt, Peter, Christine

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Momentum distribution of the homogeneous electron gas von Holzmann, Markus, Bernu, Bernard, Pierleoni, Carlo, McMinis, Jeremy, Ceperley, David M, Olevano, Valerio, Delle Site, Luigi

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Molecular systems with open boundaries: Theory and simulation von Delle Site, Luigi, Praprotnik, Matej

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Effect of Anions on Static Orientational Correlations, Hydrogen Bonds, and Dynamics in Ionic Liquids:  A Simulational Study von Qiao, Baofu, Krekeler, Christian, Berger, Robert, Delle Site, Luigi, Holm, Christian

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Path Integral Molecular Dynamics of Liquid Water in a Mean‐Field Particle Reservoir von Evangelakis, Antonios, Panahian Jand, Sara, Delle Site, Luigi

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An effective Hamiltonian for the simulation of open quantum molecular systems von Site, Luigi Delle, Djurdjevac, Ana

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What is a Multiscale Problem in Molecular Dynamics? von Site, Luigi Delle

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Path integral molecular dynamics within the grand canonical-like adaptive resolution technique: Simulation of liquid water von Agarwal, Animesh, Delle Site, Luigi

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Liouville-type equations for the n-particle distribution functions of an open system von Delle Site, Luigi, Klein, Rupert

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Density functional study of ion hydration for the alkali metal ions ( Li + , Na + , K + ) and the halide ions ( F − , Br − , Cl − ) von Krekeler, Christian, Hess, Berk, Delle Site, Luigi

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The physics of open systems for the simulation of complex molecular environments in soft matter von Ciccotti, Giovanni, Delle Site, Luigi

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Adaptive resolution molecular dynamics technique: Down to the essential von Krekeler, Christian, Agarwal, Animesh, Junghans, Christoph, Praprotnik, Matej, Delle Site, Luigi

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Is there a third order phase transition for supercritical fluids? von Zhu, Jinglong, Zhang, Pingwen, Wang, Han, Site, Luigi Delle

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On the existence of a third-order phase transition beyond the Andrews critical point: A molecular dynamics study von Wang, Han, Site, Luigi Delle, Zhang, Pingwen

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