Publikationen von L. Delle Site

Delle Site, L.; Lynden-Bell, R. M.; Alavi, A.: What can classical simulators learn from ab initio simulations? Journal of Molecular Liquids (Sp. Iss. SI), S. 79 - 86 (2002)

Cappelluti, E.; Delle Site, L.: Generalized Thomas-Fermi approach for systems under pressure. Physica A 303 (3-4), S. 481 - 492 (2002)

Delle Site, L.: Bader's interatomic surface and Bohmian mechanics. Europhysics Letters 57 (1), S. 20 - 24 (2002)

Lynden-Bell, R. M.; Delle Site, L.; Alavi, A.: Structures of adsorbed water layers on MgO: an ab initio study. Surface Science 496 (1-2), S. L1 - L6 (2002)

Delle Site, L.: Two Algorithms for Defining Atoms and Molecules in Condensed Phases. Molecular Simulation 26, S. 217 (2001)

Delle Site, L.: A Statistical Interpretation of Bader's Definition of Interatomic Surface. Physics Letters A 286, S. 61 - 64 (2001)

Delle Site, L.: On the Relevance of the Wavefunction's Phase Factor for Understanding Topological Properties of Atoms and Molecules in Condensed Phases: A simple Example. International Journal of Modern Physics B 15, S. 403 - 408 (2001)

Delle Site, L.: On the Correspondence between Classical and Quantum Mechanics in Defining Atoms and Molecules in Condensed Systems. International Journal of Modern Physics B 15, S. 2485 - 2490 (2001)

Delle Site, L.: Methane in Water: An ab initio Study. Molecular Simulation 26, S. 353 (2001)

Delle Site, L.: Equation of State of Compressed Matter: A Simple Statistical Model. Physica A 293, S. 71 - 82 (2001)

Hahn, O.; Delle Site, L.; Kremer, K.: Simulation of Polymer Melts: From Spherical to Ellipsoidal Beads. Macromolecular Theory and Simulations 10, S. 288 - 303 (2001)

Delle Site, L.: Interatomic Surfaces in Condensed Systems: A Quantum-Classical Analysis. International Journal of Modern Physics B 14, S. 771 - 781 (2000)

Delle Site, L.; Alavi, A.; Lynden-Bell, R. M.: The Structure and Spectroscopy of Monolayers of Water on MgO: An ab initio Study. Journal of Chemical Physics 113, S. 3344 - 3350 (2000)

Praprotnik, M.; Cortes Huerto, R.; Potestio, R.; Delle Site, L.: Adaptive Resolution Molecular Dynamics Technique. In: Handbook of Materials Modeling, S. 1 - 15 (Hg. Andreoni, W.; Yip, S.). Springer, Cham (2018)

Junghans, C.; Praprotnik, M.; Delle Site, L.: Adaptive Resolution Schemes. In: Multiscale Simulation Methods in Molecular Sciences, S. 359 - 379 (Hg. Grotendorst; J.; Attig; N.; Blügel et al.). Forschungszentrum Jülich, Jülich (2009)

Hamilton, I. P.; Mosna, R. A.; Delle Site, L.: Quantum-classical correspondence for the kinetic energy. In: Lecture Series on Computer and Computational Science, Volume 1, S. 1 - 4 (Hg. Simos, T.; Maroulis, G.). Brill Academic Publishers, Leiden (2006)

Abrams, C.; Delle Site, L.; Kremer, K.: Multiscale computer simulations for polymeric materials in bulk and near surfaces. In: Bridging Time Scales: Molecular Simulations for the Next Decade, S. 143 - 164 (Hg. Nielaba, P.; Mareschal, M.; Ciccotti, G.). Springer, Berlin/Heidelberg (2002)

Donadio, D.; Peköz, R.; Woerner, S.; Ghiringhelli, L. M.; Delle Site, L.: Autocatalytic and cooperatively-stabilized dissociative adsorption of water on stepped metal surfaces. In Abstracts of Papers of the American Chemical Society, 245, 7-COMP. (2013)

Cortes Huerto, R.; Praprotnik, M.; Kremer, K.; Delle Site, L.: From adaptive resolution to molecular dynamics of open systems. European Physical Journal B 94 (9), 189 (2021)