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Theoretical and Computational Chemistry

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Kieron Burke

3 results in Authors: Kieron Burke

Theoretical and Computational Chemistry

Density Functionals with Quantum Chemical Accuracy: From Machine Learning to Molecular Dynamics

Mihail Bogojeski, Leslie Vogt-Maranto, Mark E. Tuckerman, Klaus-Robert Mueller, Kieron Burke

Version 1 posted 06 May 2019

1,782

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6

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Theoretical and Computational Chemistry

Extending Density-Corrected Density Functional Theory to Large Molecular Systems

Youngsam Kim, Mingyu Sim, Minhyeok Lee, Sehun Kim, Suhwan Song, Kieron Burke, Eunji Sim

Version 1 posted 04 October 2024

154

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Theoretical and Computational Chemistry

Correcting dispersion corrections with density-corrected DFT

Minhyeok Lee, Byeongjae Kim, Mingyu Sim, Mihira Sogal, Youngsam Kim, Hayoung Yu, Kieron Burke, Eunji Sim

Version 2 posted 29 July 2024

542

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