We congratulate Hima, Sigbjørn and Michele with the cover of JCTC

We congratulate Hylleraas members Hima Bindu KolliSigbjørn Løland Bore and Michele Cascella with the cover of the September edition of the Journal of Chemical Theory and Computation (JCTC).

The cover represents the formation of micelles of sodium dodecylsulphate in water. The cover is based on their recent publication "Hybrid Particle-Field Molecular Dynamics Simulations of Charged Amphiphiles in an Aqueous Environment". The work was a joint venture with the group of Prof. Giuseppe Milano, University of Yamagata, and with collaborators from Germany, China and Japan. By extending hybrid-particle field to include explicit electrostatics it is now possible to simulate polyelectrolytes, including charged lipid bilayers and charged surfactants. This is a crucial step towards the use of hybrid-particle field to study biological soft-matter like DNA or biological membranes. 

Published Sep. 11, 2018 10:06 AM - Last modified Sep. 11, 2018 10:08 AM