The physics of materials, based on the quantum theory of solids and enhanced by powerful computational tools, explains interesting experimental findings and can make useful predictions for new applications.

In the modern era of materials applications, it has become feasible to manipulate their structure at the nano-scale (essentially a few atomic units).  This poses new challenges for accurately modeling materials across many spatial and temporal scales.

Our group studies the structure and properties of materials and their applications, such as the development of novel devices for solar energy conversion, energy storage and heterogeneous catalysis, using multiscale modeling and simulations.

Topics of interest include: properties of two-dimensional weakly-bonded heterostructures; real-time simulation of reaction dynamics on surfaces; simulation of fluids or gases in complex geometries like arteries or nano-porous materials; and the interaction of organic or bio-molecules (like DNA) with nano-structured materials (find out more in "About us"). 

Bibliographical Data --

Research Video (on multiscale arterial blood flow) --

Research Positions: For availability of graduate and postdoctoral research positions please contact Prof. Kaxiras [kaxiras at physics dot harvard dot edu]. Qualified persons should send their CV and names of references. Harvard University is an equal opportunity employer and encourages applications from under-represented groups such as women and minorities.