About the Burke Research Group
We are a useless bunch of theoretical chemists and physicists devoted to applying and developing Density Functional Theory (DFT), a tool for understanding how atoms work across our universe.
Although we mainly work on the mathematical machinery which is used in DFT; DFT has improved or helped understand the chemistry behind many things in our world!
Some examples include making better computer chips, understanding contaminates in drinking water, improving medical pharmaceuticals, and designing more energy efficient reactions for power.
Our group is guided (abused, cajoled, bribed) by Prof. Kieron Burke at UC Irvine.
Current Research Projects
Semiclassical origins of density functional approximations
Classical mechanics meets quantum mechanics
Machine-learned density functionals
Applying the latest machine learning algorithms to solve a decades long problem: finding accurate density functional approximations
Thermal DFT and warm dense matter
Turning up the heat on zero temperature quantum calculations
Strongly correlated electronic systems
Density-Corrected Density Functional Theory
Exploring and curing 'abnormal' DFT calculations with DC-DFT
Excitations from TDDFT and ensemble DFT
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.