Publications of Luigi Delle Site

Delle Site, L.; Deserno, M.; Dünweg, B.; Holm, C.; Peter, C.; Pleiner, H.: Modern simulation approaches in soft matter science: From fundamental understanding to industrial applications. European Physical Journal - Special Topics 225 (8-9), pp. 1317 - 1321 (2016)

Dommert, F.; Wendler, K.; Qiao, B.; Delle Site, L.; Holm, C.: Generic force fields for ionic liquids. Journal of Molecular Liquids 192, pp. 32 - 37 (2014)

Dommert, F.; Wendler, K.; Berger, R.; Delle Site, L.; Holm, C.: Force Fields for Studying the Structure and Dynamics of Ionic Liquids: A Critical Review of Recent Developments. ChemPhysChem 13 (7), pp. 1625 - 1637 (2012)

Donadio, D.; Ghiringhelli, L. M.; Delle Site, L.: Autocatalytic and Cooperatively Stabilized Dissociation of Water on a Stepped Platinum Surface. Journal of the American Chemical Society 134 (46), pp. 19217 - 19222 (2012)

Fritsch, S.; Poblete, S.; Junghans, C.; Ciccotti, G.; Delle Site, L.; Kremer, K.: Adaptive resolution molecular dynamics simulation through coupling to an internal particle reservoir. Physical Review Letters 108 (17), 170602 (2012)

Mukherjee, B.; Delle Site, L.; Kremer, K.; Peter, C.: Derivation of Coarse Grained Models for Multiscale Simulation of Liquid Crystalline Phase Transitions. The Journal of Physical Chemistry B 116 (29), pp. 8474 - 8484 (2012)

Mukherji, D.; van der Vegt, N. F. A.; Kremer, K.; Delle Site, L.: Kirkwood-Buff Analysis of Liquid Mixtures in an Open Boundary Simulation. Journal of Chemical Theory and Computation 8 (2), pp. 375 - 379 (2012)

Potestio, R.; Delle Site, L.: Quantum locality and equilibrium properties in low-temperature parahydrogen: A multiscale simulation study. Journal of Chemical Physics 136 (5), 054101 (2012)

Wendler, K.; Brehm, M.; Malberg, F.; Kirchner, B.; Delle Site, L.: Short Time Dynamics of Ionic Liquids in AIMD-Based Power Spectra. Journal of Chemical Theory and Computation 8 (5), pp. 1570 - 1579 (2012)

Wendler, K.; Dommert, F.; Zhao, Y. Y.; Berger, R.; Holm, C.; Delle Site, L.: Ionic liquids studied across different scales: A computational perspective. Faraday Discussions 154, pp. 111 - 132 (2012)

Böckmann, M.; Marx, D.; Peter, C.; Delle Site, L.; Kremer, K.; Doltsinis, N. L.: Multiscale modelling of mesoscopic phenomena triggered by quantum events: light-driven azo-materials and beyond. Physical Chemistry Chemical Physics 13 (17), pp. 7604 - 7621 (2011)

Delle Site, L.: Kinetic Functional of Interacting Electrons: A Numerical Procedure and Its Statistical Interpretation. Journal of Statistical Physics 144 (3), pp. 663 - 678 (2011)

Holzmann, M.; Bernu, B.; Pierleoni, C.; McMinis, J.; Ceperley, D. M.; Olevano, V.; Delle Site, L.: Momentum Distribution of the Homogeneous Electron Gas. Physical Review Letters 107 (11), 110402 (2011)

Poma, A. B.; Delle Site, L.: Adaptive resolution simulation of liquid para-hydrogen: testing the robustness of the quantum-classical adaptive coupling. Physical Chemistry Chemical Physics 13 (22), pp. 10510 - 10519 (2011)

Praprotnik, M.; Poblete, S.; Delle Site, L.; Kremer, K.: Comment on "Adaptive Multiscale Molecular Dynamics of Macromolecular Fluids''. Physical Review Letters 107 (9), 099801 (2011)

Scipioni, R.; Donadio, D.; Ghiringhelli, L. M.; Delle Site, L.: Proton Wires via One-Dimensional Water Chains Adsorbed on Metallic Steps. Journal of Chemical Theory and Computation 7 (9), pp. 2681 - 2684 (2011)

Wendler, K.; Zahn, S.; Dommert, F.; Berger, R.; Holm, C.; Kirchner, B.; Delle Site, L.: Locality and Fluctuations: Trends in Imidazolium-Based Ionic Liquids and Beyond. Journal of Chemical Theory and Computation 7 (10), pp. 3040 - 3044 (2011)

Zahn, S.; Wendler, K.; Delle Site, L.; Kirchner, B.: Depolarization of water in protic ionic liquids. Physical Chemistry Chemical Physics 13 (33), pp. 15083 - 15093 (2011)

Dommert, F.; Schmidt, J.; Krekeler, C.; Zhao, Y. Y.; Berger, R.; Delle Site, L.; Holm, C.: Towards multiscale modeling of ionic liquids: From electronic structure to bulk properties. Journal of Molecular Liquids 152 (1-3), pp. 2 - 8 (2010)

Ghiringhelli, L. M.; Delle Site, L.; Mosna, R. A.; Hamilton, I. P.: Information-theoretic approach to kinetic-energy functionals: the nearly uniform electron gas. Journal of Mathematical Chemistry 48 (1), pp. 78 - 82 (2010)