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The last 5 uploaded publications
Physisorption of Water on Graphene: Subchemical Accuracy from Many-Body Electronic Structure Methods
Jan Gerit Brandenburg, Andrea Zen, Martin Fitzner, Benjamin Ramberger, Kresse Georg, Theodoros Tsatsoulis, Andreas Grüneis, Angelos Michaelides, Dario Alfè (2019). Physisorption of Water on Graphene: Subchemical Accuracy from Many-Body Electronic Structure Methods. The Journal of Physical Chemistry Letters, 10(3), pp. 358-368, DOI: 10.1021/acs.jpclett.8b03679.
Article400 days agoProperties of the water to boron nitride interaction: From zero to two dimensions with benchmark accuracy
Yasmine S. Al-Hamdani, Mariana Rossi, Dario Alfè, Theodoros Tsatsoulis, Benjamin Ramberger, Jan Gerit Brandenburg, Andrea Zen, Kresse Georg, Andreas Grüneis, Alexandre Tkatchenko, Angelos Michaelides (2017). Properties of the water to boron nitride interaction: From zero to two dimensions with benchmark accuracy. The Journal of Chemical Physics, 147(4), DOI: 10.1063/1.4985878.
Article385 days agoData for "Workhorse minimally-empirical dispersion-corrected density functional, with tests for weakly-bound systems: r2 SCAN + rVV10"
John P Perdew, Jianwei Sun, Jinliang Ning, Manish Kothakonda, James W. Furness, Aaron D. Kaplan, Sebastian Ehlert, Jan Gerit BrandenburgData for "Workhorse minimally-empirical dispersion-corrected density functional, with tests for weakly-bound systems: r2 SCAN + rVV10". , DOI: https://doi.org/10.5281/zenodo.6871949.
Dataset39 days agoWorkhorse minimally empirical dispersion-corrected density functional with tests for weakly bound systems: <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msup><mml:mrow><mml:mi mathvariant="normal">r</mml:mi></mml:mrow><mml:mn>2</mml:mn></mml:msup><mml:mi>SCAN</mml:mi><mml:mo>+</mml:mo><mml:mrow><mml:mi>rVV</mml:mi><mml:mn>10</mml:mn></mml:mrow></mml:mrow></mml:math>
Jinliang Ning, Manish Kothakonda, James W. Furness, Aaron D. Kaplan, Sebastian Ehlert, Jan Gerit Brandenburg, John P Perdew, Jianwei Sun (2022). Workhorse minimally empirical dispersion-corrected density functional with tests for weakly bound systems: <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msup><mml:mrow><mml:mi mathvariant="normal">r</mml:mi></mml:mrow><mml:mn>2</mml:mn></mml:msup><mml:mi>SCAN</mml:mi><mml:mo>+</mml:mo><mml:mrow><mml:mi>rVV</mml:mi><mml:mn>10</mml:mn></mml:mrow></mml:mrow></mml:math>. , 106(7), DOI: https://doi.org/10.1103/physrevb.106.075422.
Article39 days agoBenchmark tests of a strongly constrained semilocal functional with a long-range dispersion correction
Jan Gerit Brandenburg, Jefferson E. Bates, Jianwei Sun, John P Perdew (2016). Benchmark tests of a strongly constrained semilocal functional with a long-range dispersion correction. , 94(11), DOI: https://doi.org/10.1103/physrevb.94.115144.
Article39 days ago