The aim of the proposed PhD project is to develop a simulation technique, Molecular Dynamics Lattice Gas (MDLG), for simulating chemical systems consisting of self-assembling molecular complexes and macromolecules. The vision is that MDLG will become a co rner stone in an effort to create a multi-scale simulation platform, applicable to systems exhibiting a variety of life-like properties, such as: self-assembly, metabolism, self-replication, self-organization, and evolution.
The PhD student will work wit hin a large scientific community centred around the EU funded integrated project PACE (Programmable Artificial Cell Evolution). The goal of the PACE project is to create an artificial proto-cell in the laboratory. The complex systems group at Chalmers, wh ere the student will be located, is a main node in the PACE program, responsible for theoretical investigations, analytical and computational. The project is not directly tied to the PACE project, but benefits greatly from being integrated in a large inte rnational program where the developed techniques immediately can be tested and compared to other simulations as well as experimental results.
The project will be a collaboration between three locations: Kristian Lindgren and Martin Nilsson at the comple x system group at Chalmers will be the home institution; Steen Rasmussen, currently at Los Alamos National Laboratory and a partner in the PACE project, will act as external supervisor. Ole Mauritsen at the University of Odense will also be external super visor, and Nils Baas at NTNU is a third external supervisor. Prof. Lindgren will be the main supervisor, and Dr. Nilsson will be active supervisor. Prof. Mauritsen is head of the national center of excellence in biomembrane physics (MEMPHYS), and also a p artner in the PACE project.