Publikationen von Luigi Delle Site
Alle Typen
Zeitschriftenartikel (93)
2016
Zeitschriftenartikel
225 (8-9), S. 1317 - 1321 (2016)
Modern simulation approaches in soft matter science: From fundamental understanding to industrial applications. European Physical Journal - Special Topics 2014
Zeitschriftenartikel
192, S. 32 - 37 (2014)
Generic force fields for ionic liquids. Journal of Molecular Liquids 2012
Zeitschriftenartikel
13 (7), S. 1625 - 1637 (2012)
Force Fields for Studying the Structure and Dynamics of Ionic Liquids: A Critical Review of Recent Developments. ChemPhysChem
Zeitschriftenartikel
134 (46), S. 19217 - 19222 (2012)
Autocatalytic and Cooperatively Stabilized Dissociation of Water on a Stepped Platinum Surface. Journal of the American Chemical Society
Zeitschriftenartikel
108 (17), 170602 (2012)
Adaptive resolution molecular dynamics simulation through coupling to an internal particle reservoir. Physical Review Letters
Zeitschriftenartikel
116 (29), S. 8474 - 8484 (2012)
Derivation of Coarse Grained Models for Multiscale Simulation of Liquid Crystalline Phase Transitions. The Journal of Physical Chemistry B
Zeitschriftenartikel
8 (2), S. 375 - 379 (2012)
Kirkwood-Buff Analysis of Liquid Mixtures in an Open Boundary Simulation. Journal of Chemical Theory and Computation
Zeitschriftenartikel
136 (5), 054101 (2012)
Quantum locality and equilibrium properties in low-temperature parahydrogen: A multiscale simulation study. Journal of Chemical Physics
Zeitschriftenartikel
8 (5), S. 1570 - 1579 (2012)
Short Time Dynamics of Ionic Liquids in AIMD-Based Power Spectra. Journal of Chemical Theory and Computation
Zeitschriftenartikel
154, S. 111 - 132 (2012)
Ionic liquids studied across different scales: A computational perspective. Faraday Discussions 2011
Zeitschriftenartikel
13 (17), S. 7604 - 7621 (2011)
Multiscale modelling of mesoscopic phenomena triggered by quantum events: light-driven azo-materials and beyond. Physical Chemistry Chemical Physics
Zeitschriftenartikel
144 (3), S. 663 - 678 (2011)
Kinetic Functional of Interacting Electrons: A Numerical Procedure and Its Statistical Interpretation. Journal of Statistical Physics
Zeitschriftenartikel
107 (11), 110402 (2011)
Momentum Distribution of the Homogeneous Electron Gas. Physical Review Letters
Zeitschriftenartikel
13 (22), S. 10510 - 10519 (2011)
Adaptive resolution simulation of liquid para-hydrogen: testing the robustness of the quantum-classical adaptive coupling. Physical Chemistry Chemical Physics
Zeitschriftenartikel
107 (9), 099801 (2011)
Comment on "Adaptive Multiscale Molecular Dynamics of Macromolecular Fluids''. Physical Review Letters
Zeitschriftenartikel
7 (9), S. 2681 - 2684 (2011)
Proton Wires via One-Dimensional Water Chains Adsorbed on Metallic Steps. Journal of Chemical Theory and Computation
Zeitschriftenartikel
7 (10), S. 3040 - 3044 (2011)
Locality and Fluctuations: Trends in Imidazolium-Based Ionic Liquids and Beyond. Journal of Chemical Theory and Computation
Zeitschriftenartikel
13 (33), S. 15083 - 15093 (2011)
Depolarization of water in protic ionic liquids. Physical Chemistry Chemical Physics 2010
Zeitschriftenartikel
152 (1-3), S. 2 - 8 (2010)
Towards multiscale modeling of ionic liquids: From electronic structure to bulk properties. Journal of Molecular Liquids
Zeitschriftenartikel
48 (1), S. 78 - 82 (2010)
Information-theoretic approach to kinetic-energy functionals: the nearly uniform electron gas. Journal of Mathematical Chemistry