Sledovat
Luigi Delle Site
Luigi Delle Site
Institute for Mathematics, Department of Mathematics and Computer Science, Freie Universität Berlin
E-mailová adresa ověřena na: fu-berlin.de - Domovská stránka
Název
Citace
Citace
Rok
Multiscale simulation of soft matter: From scale bridging to adaptive resolution
M Praprotnik, LD Site, K Kremer
Annu. Rev. Phys. Chem. 59 (1), 545-571, 2008
5302008
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), 2005
4782005
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
3022012
Adaptive resolution molecular dynamics simulation through coupling<? format?> 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
1762012
Adaptive resolution scheme for efficient hybrid atomistic-mesoscale molecular dynamics simulations of dense liquids
M Praprotnik, L Delle Site, K Kremer
Physical Review E—Statistical, Nonlinear, and Soft Matter Physics 73 (6 …, 2006
1662006
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
1612007
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
1582002
Coupling different levels of resolution in molecular simulations
S Poblete, M Praprotnik, K Kremer, L Delle Site
The Journal of chemical physics 132 (11), 2010
1382010
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
1331999
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
1252010
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
1222008
A macromolecule in a solvent: Adaptive resolution molecular dynamics simulation
M Praprotnik, L Delle Site, K Kremer
The Journal of chemical physics 126 (13), 2007
1202007
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
1192005
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
1182008
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
1172013
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
1102012
A comparative study of two classical force fields on statics and dynamics of [EMIM][BF4] 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), 2008
1012008
Locality and fluctuations: Trends in imidazolium-based ionic liquids and beyond
K Wendler, S Zahn, F Dommert, R Berger, C Holm, B Kirchner, ...
Journal of Chemical Theory and Computation 7 (10), 3040-3044, 2011
972011
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), 2008
922008
Classical to Path-Integral Adaptive Resolution in Molecular Simulation:<? format?> Towards a Smooth Quantum-Classical Coupling
AB Poma, L Delle Site
Physical review letters 104 (25), 250201, 2010
912010
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Články 1–20