Delle Site L - Search Results

1

Communication: On the locality of hydrogen bond networks at hydrophobic interfaces.

Lambeth BP Jr, Junghans C, Kremer K, Clementi C, Delle Site L. Lambeth BP Jr, et al. Among authors: delle site l. J Chem Phys. 2010 Dec 14;133(22):221101. doi: 10.1063/1.3522773. J Chem Phys. 2010. PMID: 21171675

2

Modeling diffusive dynamics in adaptive resolution simulation of liquid water.

Matysiak S, Clementi C, Praprotnik M, Kremer K, Delle Site L. Matysiak S, et al. Among authors: delle site l. J Chem Phys. 2008 Jan 14;128(2):024503. doi: 10.1063/1.2819486. J Chem Phys. 2008. PMID: 18205455

3

A macromolecule in a solvent: adaptive resolution molecular dynamics simulation.

Praprotnik M, Delle Site L, Kremer K. Praprotnik M, et al. Among authors: delle site l. J Chem Phys. 2007 Apr 7;126(13):134902. doi: 10.1063/1.2714540. J Chem Phys. 2007. PMID: 17430062

4

Path integral-GC-AdResS simulation of a large hydrophobic solute in water: a tool to investigate the interplay between local microscopic structures and quantum delocalization of atoms in space.

Agarwal A, Clementi C, Delle Site L. Agarwal A, et al. Among authors: delle site l. Phys Chem Chem Phys. 2017 May 24;19(20):13030-13037. doi: 10.1039/c7cp01629h. Phys Chem Chem Phys. 2017. PMID: 28484764

5

Adaptive resolution molecular-dynamics simulation: changing the degrees of freedom on the fly.

Praprotnik M, Delle Site L, Kremer K. Praprotnik M, et al. Among authors: delle site l. J Chem Phys. 2005 Dec 8;123(22):224106. doi: 10.1063/1.2132286. J Chem Phys. 2005. PMID: 16375469

6

Coupling different levels of resolution in molecular simulations.

Poblete S, Praprotnik M, Kremer K, Delle Site L. Poblete S, et al. Among authors: delle site l. J Chem Phys. 2010 Mar 21;132(11):114101. doi: 10.1063/1.3357982. J Chem Phys. 2010. PMID: 20331275

7

Adaptive resolution molecular dynamics technique: Down to the essential.

Krekeler C, Agarwal A, Junghans C, Praprotnik M, Delle Site L. Krekeler C, et al. Among authors: delle site l. J Chem Phys. 2018 Jul 14;149(2):024104. doi: 10.1063/1.5031206. J Chem Phys. 2018. PMID: 30007373

8

Dual-scale modeling of benzene adsorption onto Ni(111) and Au(111) surfaces in explicit water.

Schravendijk P, van der Vegt N, Delle Site L, Kremer K. Schravendijk P, et al. Among authors: delle site l. Chemphyschem. 2005 Sep 5;6(9):1866-71. doi: 10.1002/cphc.200400591. Chemphyschem. 2005. PMID: 16086342

9

Flow boundary conditions for chain-end adsorbing polymer blends.

Zhou X, Andrienko D, Delle Site L, Kremer K. Zhou X, et al. Among authors: delle site l. J Chem Phys. 2005 Sep 8;123(10):104904. doi: 10.1063/1.2009735. J Chem Phys. 2005. PMID: 16178621

10

Derivation of coarse grained models for multiscale simulation of liquid crystalline phase transitions.

Mukherjee B, Delle Site L, Kremer K, Peter C. Mukherjee B, et al. Among authors: delle site l. J Phys Chem B. 2012 Jul 26;116(29):8474-84. doi: 10.1021/jp212300d. Epub 2012 Apr 26. J Phys Chem B. 2012. PMID: 22475134

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