Kieron Burke | Scholar Profiles and Rankings

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Density-Corrected DFT Explained: Questions and Answers (journal article) Song, Suhwan \| Vuckovic, Stefan \| Sim, Eunji \| Burke, Kieron Journal of Chemical Theory and Computation, volume 18, issue 2, pages 817-827 (2022). 10.1021/acs.jctc.1c01045 Cited by (29) \| Cite \| Source
Response to comment (journal article) Okun, Pavel \| Burke, Kieron International Journal of Quantum Chemistry, volume 121, issue 19 (2021). 10.1002/qua.26767 Cite \| Source
Bob Cave Memorial (journal article) Savin, Daniel A. \| Subotnik, Joseph E. \| Burke, Kieron \| Goldfield, Evelyn M. \| Newton, Marshall D. \| Stanton, John F. The Journal of Physical Chemistry A, volume 125, issue 19, pages 4037-4038 (2021). 10.1021/acs.jpca.1c03256 Cite \| Source
Uncommonly accurate energies for the general quartic oscillator (journal article) Okun, Pavel \| Burke, Kieron International Journal of Quantum Chemistry, volume 121, issue 7 (2021). 10.1002/qua.26554 Cited by (6) \| Cite \| Source
Explaining and Fixing DFT Failures for Torsional Barriers (journal article) Nam, Seungsoo \| Cho, Eunbyol \| Sim, Eunji \| Burke, Kieron The Journal of Physical Chemistry Letters, volume 12, issue 11, pages 2796-2804 (2021). 10.1021/acs.jpclett.1c00426 Cited by (17) \| Cite \| Source
Learning to Approximate Density Functionals (journal article) Kalita, Bhupalee \| Li, Li \| McCarty, Ryan J. \| Burke, Kieron Accounts of Chemical Research, volume 54, issue 4, pages 818-826 (2021). 10.1021/acs.accounts.0c00742 Cited by (42) \| Cite \| Source
Calculation and interpretation of classical turning surfaces in solids (journal article) Kaplan, Aaron D. \| Clark, Stewart J. \| Burke, Kieron \| Perdew, John P. npj Computational Materials, volume 7, issue 1 (2021). 10.1038/s41524-020-00479-0 Cited by (4) \| Cite \| Source
Density Sensitivity of Empirical Functionals (journal article) Song, Suhwan \| Vuckovic, Stefan \| Sim, Eunji \| Burke, Kieron The Journal of Physical Chemistry Letters, volume 12, issue 2, pages 800-807 (2021). 10.1021/acs.jpclett.0c03545 Cited by (24) \| Cite \| Source
Kohn-Sham Equations as Regularizer: Building Prior Knowledge into Machine-Learned Physics (journal article) Li, Li \| Hoyer, Stephan \| Pederson, Ryan \| Sun, Ruoxi \| Cubuk, Ekin D. \| Riley, Patrick \| Burke, Kieron Physical Review Letters, volume 126, issue 3 (2021). 10.1103/PhysRevLett.126.036401 Cited by (68) \| Cite \| Source
Confirmation of the PPLB Derivative Discontinuity: Exact Chemical Potential at Finite Temperatures of a Model System (journal article) Sagredo, Francisca \| Burke, Kieron Journal of Chemical Theory and Computation, volume 16, issue 12, pages 7225-7231 (2020). 10.1021/acs.jctc.0c00711 Cited by (4) \| Cite \| Source
Deriving approximate functionals with asymptotics (journal article) Burke, Kieron Faraday Discussions, volume 224 (2020). 10.1039/D0FD00057D Cited by (1) \| Cite \| Source
New approaches to study excited states in density functional theory: general discussion (journal article) Brandenburg, Jan Gerit \| Burke, Kieron \| Fromager, Emmanuel \| Gatti, Matteo \| Giarrusso, Sara \| Gidopoulos, Nikitas I. \| Gori-Giorgi, Paola \| Gowland, Duncan \| Helgaker, Trygve \| Hodgson, Matthew J. P. \| ... \| Yang, Weitao Faraday Discussions, volume 224 (2020). 10.1039/D0FD90026E Cited by (2) \| Cite \| Source
New density-functional approximations and beyond: general discussion (journal article) Brandenburg, Jan Gerit \| Burke, Kieron \| Cancio, Antonio \| Erhard, Jannis \| Fromager, Emmanuel \| Ghosal, Abhisek \| Gidopoulos, Nikitas \| Gori-Giorgi, Paola \| Helgaker, Trygve \| Hourahine, Ben \| ... \| Yang, Weitao Faraday Discussions, volume 224 (2020). 10.1039/D0FD90023K Cited by (1) \| Cite \| Source
Bypassing the Energy Functional in Density Functional Theory: Direct Calculation of Electronic Energies from Conditional Probability Densities (journal article) McCarty, Ryan J. \| Perchak, Dennis \| Pederson, Ryan \| Evans, Robert \| Qiu, Yiheng \| White, Steven R. \| Burke, Kieron Physical Review Letters, volume 125, issue 26 (2020). 10.1103/PhysRevLett.125.266401 Cited by (5) \| Cite \| Source
Quantifying and Understanding Errors in Molecular Geometries (journal article) Vuckovic, Stefan \| Burke, Kieron The Journal of Physical Chemistry Letters, volume 11, issue 22, pages 9957-9964 (2020). 10.1021/acs.jpclett.0c03034 Cited by (32) \| Cite \| Source
Quantum chemical accuracy from density functional approximations via machine learning (journal article) Bogojeski, Mihail \| Vogt-Maranto, Leslie \| Tuckerman, Mark E. \| Müller, Klaus-Robert \| Burke, Kieron Nature Communications, volume 11, issue 1 (2020). 10.1038/s41467-020-19093-1 Cited by (141) \| Cite \| Source
Retrospective on a decade of machine learning for chemical discovery (journal article) von Lilienfeld, O. Anatole \| Burke, Kieron Nature Communications, volume 11, issue 1 (2020). 10.1038/s41467-020-18556-9 Cited by (78) \| Cite \| Source
Simple hydrogenic estimates for the exchange and correlation energies of atoms and atomic ions, with implications for density functional theory (journal article) Kaplan, Aaron D. \| Santra, Biswajit \| Bhattarai, Puskar \| Wagle, Kamal \| Chowdhury, Shah Tanvir ur Rahman \| Bhetwal, Pradeep \| Yu, Jie \| Tang, Hong \| Burke, Kieron \| Levy, Mel \| Perdew, John P. The Journal of Chemical Physics, volume 153, issue 7 (2020). 10.1063/5.0017805 Cited by (9) \| Cite \| Source
Measuring Density-Driven Errors Using Kohn–Sham Inversion (journal article) Nam, Seungsoo \| Song, Suhwan \| Sim, Eunji \| Burke, Kieron Journal of Chemical Theory and Computation, volume 16, issue 8, pages 5014-5023 (2020). 10.1021/acs.jctc.0c00391 Cited by (22) \| Cite \| Source
MAP: An MP2 Accuracy Predictor for Weak Interactions from Adiabatic Connection Theory (journal article) Vuckovic, Stefan \| Fabiano, Eduardo \| Gori-Giorgi, Paola \| Burke, Kieron Journal of Chemical Theory and Computation, volume 16, issue 7, pages 4141-4149 (2020). 10.1021/acs.jctc.0c00049 Cited by (9) \| Cite \| Source

Title	Investigators	Year	Expiration	Amount
Improving accuracy and applicability of density functional theory	Burke, Kieron	06-01-2019	05-31-2022	$500,000
Systematic approach to Density Functional Theory	Burke, Kieron	05-01-2015	04-30-2018	$480,000
Non-empirical development of density functional theory in chemistry	Burke, Kieron	08-01-2008	07-31-2011	$425,000
Electron-molecule Collisions From Time-dependent Density Functional Theory	Burke, Kieron	07-01-2007	08-31-2008	$41,608
Electron-molecule Collisions From Time-dependent Density Functional Theory	Burke, Kieron	08-01-2004	11-30-2007	$345,000
CAREER: Density Functional Chemistry -- The Ground State and Beyond	Burke, Kieron	02-01-1999	01-31-2004	$277,600