| 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 | 555 | 2008 |
| 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 | 490 | 2005 |
| 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 | 323 | 2012 |
| 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 | 176 | 2012 |
| 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 | 169 | 2006 |
| 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 | 164 | 2002 |
| 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 | 162 | 2007 |
| 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 | 142 | 1999 |
| 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 | 137 | 2010 |
| 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 | 137 | 2010 |
| 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 | 126 | 2008 |
| 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 | 125 | 2005 |
| 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 | 124 | 2008 |
| 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 | 122 | 2013 |
| 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 | 122 | 2007 |
| 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 | 115 | 2012 |
| 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 | 109 | 2011 |
| 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 | 107 | 2008 |
| Momentum distribution of the homogeneous electron gas M Holzmann, B Bernu, C Pierleoni, J McMinis, DM Ceperley, V Olevano, ... Physical review letters 107 (11), 110402, 2011 | 101 | 2011 |
| Short time dynamics of ionic liquids in AIMD-based power spectra K Wendler, M Brehm, F Malberg, B Kirchner, L Delle Site Journal of chemical theory and computation 8 (5), 1570-1579, 2012 | 93 | 2012 |
Matej PraprotnikLaboratory for Molecular Modeling, National Institute of Chemistry, Ljubljana, SloveniaVerified email at cmm.ki.si
