Luigi Delle Site
Luigi Delle Site
Institute for Mathematics, Department of Mathematics and Computer Science, Freie Universität Berlin
Verified email at fu-berlin.de - Homepage
Title
Cited by
Cited by
Year
Multiscale simulation of soft matter: From scale bridging to adaptive resolution
M Praprotnik, LD Site, K Kremer
Annu. Rev. Phys. Chem. 59, 545-571, 2008
4452008
Adaptive resolution molecular-dynamics simulation: Changing the degrees of freedom on the fly
M Praprotnik, L Delle Site, K Kremer
The Journal of chemical physics 123 (22), 224106, 2005
3912005
Force fields for studying the structure and dynamics of ionic liquids: a critical review of recent developments
F Dommert, K Wendler, R Berger, L Delle Site, C Holm
ChemPhysChem 13 (7), 1625-1637, 2012
2202012
Adaptive resolution molecular dynamics simulation through coupling to an internal particle reservoir
S Fritsch, S Poblete, C Junghans, G Ciccotti, L Delle Site, K Kremer
Physical review letters 108 (17), 170602, 2012
1492012
Polymers near metal surfaces: Selective adsorption and global conformations
L Delle Site, CF Abrams, A Alavi, K Kremer
Physical review letters 89 (15), 156103, 2002
1472002
Adaptive resolution scheme for efficient hybrid atomistic-mesoscale molecular dynamics simulations of dense liquids
M Praprotnik, L Delle Site, K Kremer
Physical Review E 73 (6), 066701, 2006
1462006
Adaptive resolution simulation of liquid water
M Praprotnik, S Matysiak, L Delle Site, K Kremer, C Clementi
Journal of Physics: Condensed Matter 19 (29), 292201, 2007
1402007
The electrostatic properties of water molecules in condensed phases: an ab initio study
LD Site, A Alavi, RM Lynden-Bell
Molecular Physics 96 (11), 1683-1693, 1999
1221999
Coupling different levels of resolution in molecular simulations
S Poblete, M Praprotnik, K Kremer, L Delle Site
The Journal of chemical physics 132 (11), 114101, 2010
1152010
Effect of anions on static orientational correlations, hydrogen bonds, and dynamics in ionic liquids: A simulational study
B Qiao, C Krekeler, R Berger, L Delle Site, C Holm
The Journal of Physical Chemistry B 112 (6), 1743-1751, 2008
1112008
A macromolecule in a solvent: Adaptive resolution molecular dynamics simulation
M Praprotnik, L Delle Site, K Kremer
The Journal of chemical physics 126 (13), 04B603, 2007
1042007
Ionic charge reduction and atomic partial charges from first-principles calculations of 1, 3-dimethylimidazolium chloride
J Schmidt, C Krekeler, F Dommert, Y Zhao, R Berger, LD Site, C Holm
The Journal of Physical Chemistry B 114 (18), 6150-6155, 2010
1022010
Bisphenol A polycarbonate: Entanglement analysis from coarse-grained MD simulations
S Leon, N van der Vegt, L Delle Site, K Kremer
Macromolecules 38 (19), 8078-8092, 2005
972005
Grand-canonical-like molecular-dynamics simulations by using an adaptive-resolution technique
H Wang, C Hartmann, C Schuette, LD Site
Physical Review X 3, 011018, 2013
942013
Classical simulations from the atomistic to the mesoscale and back: coarse graining an azobenzene liquid crystal
C Peter, L Delle Site, K Kremer
Soft Matter 4 (4), 859-869, 2008
912008
Ionic liquids studied across different scales: A computational perspective
K Wendler, F Dommert, YY Zhao, R Berger, C Holm, L Delle Site
Faraday discussions 154, 111-132, 2012
902012
Modeling diffusive dynamics in adaptive resolution simulation of liquid water
S Matysiak, C Clementi, M Praprotnik, K Kremer, L Delle Site
The Journal of chemical physics 128 (2), 024503, 2008
832008
Classical to path-integral adaptive resolution in molecular simulation: towards a smooth quantum-classical coupling
AB Poma, L Delle Site
Physical review letters 104 (25), 250201, 2010
822010
A comparative study of two classical force fields on statics and dynamics of investigated via molecular dynamics simulations
F Dommert, J Schmidt, B Qiao, Y Zhao, C Krekeler, L Delle Site, R Berger, ...
The Journal of chemical physics 129 (22), 224501, 2008
802008
Dual-resolution coarse-grained simulation of the bisphenol-a-polycarbonate/nickel interface
CF Abrams, L Delle Site, K Kremer
Physical Review E 67 (2), 021807, 2003
802003
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Articles 1–20