Kieron Burke

Kieron Burke
Nationality	Irish-American
Alma mater	University of California, Berkeley (PhD)
Known for	Density Functional Theory
Awards	Fellow of the American Physical Society
Scientific career
Fields	Quantum Mechanics, Density Functional Theory
Institutions	University of California, Irvine (UCI)

Kieron Burke is a professor known for his work in the field of quantum mechanics, particularly in developing and advancing density functional theory (DFT). He holds joint appointments as a distinguished professor in the Departments of Chemistry and Physics at the University of California, Irvine (UCI). ^[1] He is the interim dean of the UCI School of Physical Sciences. ^[2]

Career and research

Density functional theory

Burke's primary research focus is on density functional theory (DFT), a computational quantum mechanical modeling method used to investigate the electronic structure of many-body systems, particularly atoms, molecules, and condensed phases. DFT has become an essential tool in chemistry and materials science due to its balance of accuracy and computational efficiency. Burke has been instrumental in developing formalism, new approximations, and extensions of DFT to various scientific applications (UCI Chemistry) (Eddleman Quantum Institute) (UCI DFT). ^[3]

Key contributions

Kieron Burke has contributed significantly to several areas within DFT, including:

• PBE Functional Development: Contributed to the development of the Perdew-Burke-Ernzerhof (PBE) functional, which is widely used in computational chemistry and materials science. ^[4]
• Adiabatic Connection Arguments: Played a role in developing the PBE0 hybrid functional, which combines DFT with Hartree-Fock theory. ^[5]
• Thermal DFT: Advanced the understanding of DFT under thermal conditions, which is crucial for studying matter under extreme environments such as planetary interiors and fusion reactors. ^[6]
• Machine Learning: Integrated machine learning techniques to improve the accuracy and efficiency of DFT calculations (UCI Chemistry) (IAQMS) (APS Physics). ^[7]

Academic and professional recognition

Burke is a fellow of the American Physical Society, the British Royal Society of Chemistry, and the American Association for the Advancement of Science. He has received the International Journal of Quantum Chemistry Young Investigator Award and the Bourke Lectureship from the Royal Society of Chemistry (UCI Chemistry) (IAQMS). ^[8]

Outreach and education

Kieron Burke is also known for his educational efforts and outreach activities. He has delivered lectures and tutorials on DFT around the world and is actively involved in mentoring students and postdoctoral researchers from various scientific disciplines, including chemistry, physics, mathematics, and computer science (UCI Chemistry) (Eddleman Quantum Institute). ^[9]

Selected publications

Burke has authored over 180 research papers in theoretical chemistry, physical chemistry, condensed matter physics, and surface and interface science. His work is highly cited, reflecting its impact on the scientific community. Some notable publications include:

• "Thermal Density Functional Theory in Context" - A comprehensive overview of thermal DFT and its applications. ^[10]
• "Exact Conditions and Approximations in Density Functional Theory" - Discusses the theoretical foundations and practical approximations in DFT. ^[11]

References

1. "Department of Chemistry | UCI Department of Chemistry". www.chem.uci.edu. Retrieved 2024-08-03.
2. https://provost.uci.edu/2025/06/13/kieron-burke-appointed-interim-dean-of-the-school-of-physical-sciences/
3. "International Academy of Quantum Molecular Science". www.iaqms.org. Retrieved 2024-08-03.
4. Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias (1996-10-28). "Generalized Gradient Approximation Made Simple" . Physical Review Letters. 77 (18): 3865–3868. Bibcode:1996PhRvL..77.3865P. doi:10.1103/PhysRevLett.77.3865. PMID   10062328.
5. "Adiabatic connection from accurate wave-function calculations". pubs.aip.org. Retrieved 2024-08-03.
6. McCarty, Kieron Burke, Ryan J. "Burke Group". dft.uci.edu. Retrieved 2024-08-03.
7. Bogojeski, Mihail; Vogt-Maranto, Leslie; Tuckerman, Mark E.; Müller, Klaus-Robert; Burke, Kieron (2020-10-16). "Quantum chemical accuracy from density functional approximations via machine learning". Nature Communications. 11 (1): 5223. Bibcode:2020NatCo..11.5223B. doi:10.1038/s41467-020-19093-1. ISSN   2041-1723. PMC   7567867 . PMID   33067479.
8. "Physics - Kieron Burke". physics.aps.org. Retrieved 2024-08-03.
9. "Burke Group". dft.uci.edu. Retrieved 2024-08-03.
10. Pribram-Jones, Aurora; Pittalis, Stefano; Gross, E. K. U.; Burke, Kieron (2014), "Thermal Density Functional Theory in Context", Frontiers and Challenges in Warm Dense Matter, Lecture Notes in Computational Science and Engineering, vol. 96, pp. 25–60, arXiv: 1309.3043 , doi:10.1007/978-3-319-04912-0_2, ISBN   978-3-319-04911-3
11. Pederson, Ryan; Burke, Kieron (2023-08-12), "The difference between molecules and materials: Reassessing the role of exact conditions in density functional theory", Journal of Chemical Physics, 159 (21), arXiv: 2303.01766 , Bibcode:2023JChPh.159u4113P, doi:10.1063/5.0172058, PMID   38054515