Publikationen von L. Delle Site
Alle Typen
Zeitschriftenartikel (93)
81.
Zeitschriftenartikel
What can classical simulators learn from ab initio simulations? Journal of Molecular Liquids (Sp. Iss. SI), S. 79 - 86 (2002)
82.
Zeitschriftenartikel
303 (3-4), S. 481 - 492 (2002)
Generalized Thomas-Fermi approach for systems under pressure. Physica A 83.
Zeitschriftenartikel
57 (1), S. 20 - 24 (2002)
Bader's interatomic surface and Bohmian mechanics. Europhysics Letters 84.
Zeitschriftenartikel
496 (1-2), S. L1 - L6 (2002)
Structures of adsorbed water layers on MgO: an ab initio study. Surface Science 85.
Zeitschriftenartikel
26, S. 217 (2001)
Two Algorithms for Defining Atoms and Molecules in Condensed Phases. Molecular Simulation 86.
Zeitschriftenartikel
286, S. 61 - 64 (2001)
A Statistical Interpretation of Bader's Definition of Interatomic Surface. Physics Letters A 87.
Zeitschriftenartikel
15, S. 403 - 408 (2001)
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 88.
Zeitschriftenartikel
15, S. 2485 - 2490 (2001)
On the Correspondence between Classical and Quantum Mechanics in Defining Atoms and Molecules in Condensed Systems. International Journal of Modern Physics B 89.
Zeitschriftenartikel
26, S. 353 (2001)
Methane in Water: An ab initio Study. Molecular Simulation 90.
Zeitschriftenartikel
293, S. 71 - 82 (2001)
Equation of State of Compressed Matter: A Simple Statistical Model. Physica A 91.
Zeitschriftenartikel
10, S. 288 - 303 (2001)
Simulation of Polymer Melts: From Spherical to Ellipsoidal Beads. Macromolecular Theory and Simulations 92.
Zeitschriftenartikel
14, S. 771 - 781 (2000)
Interatomic Surfaces in Condensed Systems: A Quantum-Classical Analysis. International Journal of Modern Physics B 93.
Zeitschriftenartikel
113, S. 3344 - 3350 (2000)
The Structure and Spectroscopy of Monolayers of Water on MgO: An ab initio Study. Journal of Chemical Physics Buchkapitel (4)
94.
Buchkapitel
Adaptive Resolution Molecular Dynamics Technique. In: Handbook of Materials Modeling, S. 1 - 15 (Hg. Andreoni, W.; Yip, S.). Springer, Cham (2018)
95.
Buchkapitel
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)
96.
Buchkapitel
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)
97.
Buchkapitel
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)
Meeting Abstract (1)
98.
Meeting Abstract
245, 7-COMP. (2013)
Autocatalytic and cooperatively-stabilized dissociative adsorption of water on stepped metal surfaces. In Abstracts of Papers of the American Chemical Society, Review Article (1)
99.
Review Article
94 (9), 189 (2021)
From adaptive resolution to molecular dynamics of open systems. European Physical Journal B