%0 Generic
%A Vlugt, Thijs
%A Van Huis, M. (Marijn)
%A Lin, L.C. (Li-Chiang)
%A Buijs, W.J. (Wim)
%D 2016
%T Input data supporting: Atomistic understanding of cation exchange in PbS nanocrystals using simulations with pseudoligands
%U https://data.4tu.nl/articles/dataset/Input_data_supporting_Atomistic_understanding_of_cation_exchange_in_PbS_nanocrystals_using_simulations_with_pseudoligands/12704231/1
%R 10.4121/uuid:7100a209-2407-42ea-b6e0-dca5e821fc8d
%K Engineering thermodynamics
%K Molecular simulation
%K Statistical mechanics
%K Statistical thermodynamics
%X Atomistic understanding of cation exchange in PbS nanocrystals
using simulations with pseudoligands,  Z. Fan, L-C. Lin, W. Buijs, T.J.H. Vlugt, M.A. van Huis
Nature Communications, doi:10.1038/ncomms11503 
Sample input files for a MD simulation of 4.7-nm PbS NC in psuedoligands at 550K.
Simulations were performed using the LAMMPS code (version 01Nov13).
LAMMPS can de downloaded from: http://lammps.sandia.gov
%I TU Delft