Martin Stoehr

Martin Stoehr
Postal Address Université du Luxembourg
2, Avenue de l'Université
L-4365 Esch-sur-Alzette
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2021

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See detailCoulomb interactions between dipolar quantum fluctuations in van der Waals bound molecules and materials
Stoehr, Martin; Sadhukhan, Mainak; Al-Hamdani, Yasmine S.; Hermann, Jan; Tkatchenko, Alexandre

in Nature Communications (2021), 12(1), 137

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See detailQuantum-mechanical force balance between multipolar dispersion and Pauli repulsion in atomic van der Waals dimers
Vaccarelli, Ornella; Fedorov, Dmitry; Stoehr, Martin; Tkatchenko, Alexandre

in Physical Review Research (2021)

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2020

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See detailDFTB+, a software package for efficient approximate density functional theory based atomistic simulations
Hourahine, Ben; Aradi, Bálint; Blum, Volker; Bonafé, F.; Buccheri, A.; Camacho, C.; Cevallos, C.; Deshaye, M. Y.; Dumitrică, T.; Dominguez, A.; Ehlert, S.; Elstner, Marcus; van der Heide, T.; Hermann, Jan; Irle, Stephan; Kranz, Julian J.; Köhler, Christof; Kowalczyk, Tim; Kubař, Tomá Vs; Lee, I. S.; Lutsker, V.; Maurer, Reinhard J.; Min, S. K.; Mitchell, I.; Negre, C.; Niehaus, Thomas A.; Niklasson, A. M. N.; Page, A. J.; Pecchia, A.; Penazzi, G.; Persson, M. P.; Řezá\vc, Jan; Sánchez, C. G.; Sternberg, M.; Stoehr, Martin; Stuckenberg, F.; Tkatchenko, Alexandre; Yu, V. W.-Z; Frauenheim, Thomas

in The Journal of Chemical Physics (2020), 152(12), 124101

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See detailAccurate Many-Body Repulsive Potentials for Density-Functional Tight Binding from Deep Tensor Neural Networks
Stoehr, Martin; Medrano Sandonas, Leonardo; Tkatchenko, Alexandre

in Journal of Physical Chemistry Letters (2020), 11(16), 68356843

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2019

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See detailQuantum mechanics of proteins in explicit water: The role of plasmon-like solute-solvent interactions
Stoehr, Martin; Tkatchenko, Alexandre

in Science Advances (2019), 5(12), 0024

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See detailTheory and practice of modeling van der Waals interactions in electronic-structure calculations
Stoehr, Martin; Van Voorhis, Troy; Tkatchenko, Alexandre

in Chemical Society Reviews (2019), 48

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2018

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See detailQuantum-Mechanical Relation between Atomic Dipole Polarizability and the van der Waals Radius
Fedorov, Dmitry; Sadhukhan, Mainak; Stoehr, Martin; Tkatchenko, Alexandre

in Physical Review Letters (2018), 121

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