We are a useless bunch of theoretical chemists and physicists
devoted to applying density functional theory (DFT) whenever we
see more than one particle (i.e. pretty much every aspect of the universe).
Guided (=abused, cajoled, bribed) by Prof. Kieron Burke at UC Irvine, our
current research interests include:
Warm dense matter
Density functional theory
Strongly correlated systems
etc., with applications in
Click on a few of the pictures or titles below to see what we've gotten into recently!
Time-dependent DFT for electron transport
Simulating electrons flowing across a system with DFT...(more).
Turning up the heat on zero temperature quantum calculations (more).
Exact DFT in 1D using DMRG
Comparisons between Density Matrix Renormalization Group and Density Functional Theory in low dimension can teach us lessons about higher dimensions (more).
We've assembled a handy list of reviews of DFT! Check it out here!.
Machine learning applied to DFT
Apply latest machine learning algorithm to solve the decades long problem: finding accurate density functional approximations...(more).
Semiclassical origins of DFT
Classical mechanics meets quantum mechanics...(more).
Density-Corrected Density Functional Theory
Exploring and curing 'abnormal' DFT calculations with DC-DFT...(more).
UC Irvine Chemical Electronic Structure Group
Together, the groups of
Prof. Kieron Burke and
Prof. Filipp Furche
comprise the UC Irvine Chemical Electronic Structure Group (iCES).
Our research is focused on developing and implementing electronic structure
methods (primarily density functional theory) for applications in chemistry
and other fields. Together, we develop both the theory (e.g., create new functionals)
and algorithms (e.g., implemented in TURBOMOLE) and perform some of the first
and fastest quantum chemical calculations in the world. We have collaborators
all over the world, such as in Germany, Ireland, the east coast of the US,
and Japan, and many experimentalists are among them. Prof. Furche's group website
is located here.