Advancements in computer hardware, software, and algorithms has led to the ability to simulate much larger systems using atomistic methods such as density functional theory-based electronic structure calculations or molecular dynamics. Nevertheless, these methods are in general still not able to model materials on the mesoscale, that is, on length scales ranging from some tens of nanometers to microns and beyond. In this talk, I will give some examples of some specific systems where we have more or less successfully connected atomistic simulations with mesoscale ones. This was possible because the inputs needed in the mesoscale simulations were well defined in terms of atomistic simulations. In spite of this, the actual connections were manual, tedious and laborious. I will then talk about some ongoing collaborative work, in particular with Dmitry Karpeyev at the UC CI, in which we are building software tools for some pilot projects where these connections can be made more readily and in an automated way. Finally, I will give an outlook or what we plan to do further on and how this may fit into the larger modeling community at UC and Argonne.

Bio: Olle Heinonen received his M.Sc. from Uppsala University in Sweden in Engineering Physics, and M.S. and Ph.D. in Physics from Case Western Reserve University. After post-doctoral appointments at UC Santa Barbara and Case Western Reserve University, he joined the faculty at the Department of Physics, University of Central Florida, where he stayed for nine years.  After that he went to Seagate Technology in Minneapolis and worked for twelve years on research and development in magnetic recording and non-volatile memories. He joined Argonne in 2010 as a Materials Scientist and his research spans areas from electronic structure methods to mesoscale computational materials science.