Computational modeling and simulation of nanomaterials strongly complement physical experiments. They enable the prediction of characteristics and processes under conditions difficult to replicate or ...

A milestone report proposes a new technique for modeling molecular life with computers. The advance promises new insights into the fundamental biology of a cell, as well as faster and more precise ...

Temperature adds another challenge. Standard DFT is essentially a zero-temperature approach, so thermal effects must be ...

I'm interested in the equilibrium and nonequilibrium self-organization of soft condensed matter, including liquid crystals, colloids, and biomaterials. My research involves the use of computer ...