12k citations · 33.8k across the 125 of their papers we have counts for
Showing 2018 · physics.chem-phShow all
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physics.chem-ph2018★ 102 cited
Guest Editorial: Special Topic on Data-enabled Theoretical Chemistry
Matthias Rupp, O. Anatole von Lilienfeld, Kieron Burke
A survey of the contributions to the Special Topic on Data-enabled Theoretical Chemistry is given, including a glossary of relevant machine learning terms.
physics.chem-ph2018★ 56 cited
Can ensemble density functional theory yield accurate double excitations?
Francisca Sagredo, Kieron Burke
The recent use of a new ensemble in density functional theory (DFT) to yield direct corrections to the Kohn-Sham transitions yields the elusive double excitations that are missed b…
physics.chem-ph2018★ 5 cited
Thermal stitching: Extending the reach of quantum fermion solvers
Justin Clifford Smith, Kieron Burke
For quantum fermion problems, many accurate solvers are limited by the temperature regime in which they can be usefully applied. The Mermin theorem implies the uniqueness of an eff…