Density Functional Theory: Why It Works, Why It Matters, and What Comes Next
DIPC
Date:
16 Abril, 2026
Hour:
16:00
Location:
DIPC Josebe-Olarra Lecture Hall
Density Functional Theory (DFT) provides a remarkable reduction of the quantum many-body problem, replacing the exponentially complex wavefunction with the electron density while retaining predictive power across a vast range of physical systems. It has become a central tool in condensed matter physics, materials science, and related fields, yet its success is often taken for granted rather than understood.
In this talk, I will focus on the physical foundations of DFT: why the theory works as well as it does, what its systematic failures reveal about electron correlation, and how exact constraints and universality shape practical approximations. Rather than reviewing technical developments, I will emphasize conceptual structure, including the roles of error cancellation, strong correlation, and density-driven errors, and show how these issues recur across seemingly disparate physical regimes.
I will conclude with a forward-looking discussion of open problems and current directions, including applications to matter under extreme conditions and the use of machine learning as a physics-informed tool for improving electronic structure theory. The goal is to frame DFT as a living theoretical framework, closely connected to broader themes in modern physics.
About the speaker
Kieron Burke is a Distinguished Professor in both the chemistry and physics departments at the University of California, Irvine, and currently serves as Interim Dean of UCI's School of Physical Sciences. His research centers on the development, formal foundations, and practical extensions of density functional theory (DFT), enabling applications in areas such as materials science, extreme-condition physics, magnetic materials, and molecular electronics. He has also advanced the use of machine learning in electronic-structure theory, including collaborations with Google Accelerated Science and DeepMind. Burke is a fellow of the American Physical Society, the Royal Society of Chemistry, and the American Association for the Advancement of Science, and a member of the International Academy of Quantum Molecular Sciences. According to Google Scholar, his publications are cited more than 25,000 times each year.