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