Theory and practice of modeling van der Waals interactions in electronic-structure calculations von Sthr, Martin, Van Voorhis, Troy, Tkatchenko, Alexandre

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Accurate Many-Body Repulsive Potentials for Density-Functional Tight Binding from Deep Tensor Neural Networks von Stöhr, Martin, Medrano Sandonas, Leonardo, Tkatchenko, Alexandre

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Quantum mechanics of proteins in explicit water: The role of plasmon-like solute-solvent interactions von Stöhr, Martin, Tkatchenko, Alexandre

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Coulomb interactions between dipolar quantum fluctuations in van der Waals bound molecules and materials von Stöhr, Martin, Sadhukhan, Mainak, Al-Hamdani, Yasmine S., Hermann, Jan, Tkatchenko, Alexandre

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libMBD: A general-purpose package for scalable quantum many-body dispersion calculations von Hermann, Jan, Stöhr, Martin, Góger, Szabolcs, Chaudhuri, Shayantan, Aradi, Bálint, Maurer, Reinhard J., Tkatchenko, Alexandre

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Quantum-mechanical force balance between multipolar dispersion and Pauli repulsion in atomic van der Waals dimers von Vaccarelli, Ornella, Fedorov, Dmitry V., Stöhr, Martin, Tkatchenko, Alexandre

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Communication: Charge-population based dispersion interactions for molecules and materials von Stöhr, Martin, Michelitsch, Georg S., Tully, John C., Reuter, Karsten, Maurer, Reinhard J.

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Dynamics of Spatially Confined Bisphenol A Trimers in a Unimolecular Network on Ag(111) von Lloyd, Julian A, Papageorgiou, Anthoula C, Fischer, Sybille, Oh, Seung Cheol, Saǧlam, Özge, Diller, Katharina, Duncan, David A, Allegretti, Francesco, Klappenberger, Florian, Stöhr, Martin, Maurer, Reinhard J, Reuter, Karsten, Reichert, Joachim, Barth, Johannes V

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Quantum-Mechanical Relation between Atomic Dipole Polarizability and the van der Waals Radius von Fedorov, Dmitry V, Sadhukhan, Mainak, Stöhr, Martin, Tkatchenko, Alexandre

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Biomolecular dynamics with machine-learned quantum-mechanical force fields trained on diverse chemical fragments von Unke, Oliver T, Stöhr, Martin, Ganscha, Stefan, Unterthiner, Thomas, Maennel, Hartmut, Kashubin, Sergii, Ahlin, Daniel, Gastegger, Michael, Medrano Sandonas, Leonardo, Berryman, Joshua T, Tkatchenko, Alexandre, Müller, Klaus-Robert

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Communication: Charge-population based dispersion interactions for molecules and materials von Stöhr, Martin, Department Chemie, Technische Universität München, Lichtenbergstr. 4, D-85748 Garching, Michelitsch, Georg S., Reuter, Karsten, Tully, John C., Maurer, Reinhard J.

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Quantum Mechanics of Proteins in Explicit Water: The Role of Plasmon-Like Solute-Solvent Interactions von Stöhr, Martin, Tkatchenko, Alexandre

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Accurate Many-Body Repulsive Potentials for Density-Functional Tight-Binding from Deep Tensor Neural Networks von Stöhr, Martin, Sandonas, Leonardo Medrano, Tkatchenko, Alexandre

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libMBD: A general-purpose package for scalable quantum many-body dispersion calculations von Hermann, Jan, Stöhr, Martin, Góger, Szabolcs, Chaudhuri, Shayantan, Aradi, Bálint, Maurer, Reinhard J, Tkatchenko, Alexandre

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Quantum-Mechanical Force Balance Between Multipolar Dispersion and Pauli Repulsion in Atomic van der Waals Dimers von Vaccarelli, Ornella, Fedorov, Dmitry V, Stöhr, Martin, Tkatchenko, Alexandre

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Accurate Machine Learned Quantum-Mechanical Force Fields for Biomolecular Simulations von Unke, Oliver T, Stöhr, Martin, Ganscha, Stefan, Unterthiner, Thomas, Maennel, Hartmut, Kashubin, Sergii, Ahlin, Daniel, Gastegger, Michael, Sandonas, Leonardo Medrano, Tkatchenko, Alexandre, Müller, Klaus-Robert

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Coulomb Interactions between Dipolar Quantum Fluctuations in van der Waals Bound Molecules and Materials von Stöhr, Martin, Sadhukhan, Mainak, Al-Hamdani, Yasmine S, Hermann, Jan, Tkatchenko, Alexandre

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Quantum-Mechanical Relation between Atomic Dipole Polarizability and the van der Waals Radius von Fedorov, Dmitry V, Sadhukhan, Mainak, Stöhr, Martin, Tkatchenko, Alexandre

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Accurate Many-Body Repulsive Potentials for Density-Functional Tight-Binding from Deep Tensor Neural Networks von Stöhr, Martin, Leonardo Medrano Sandonas, Tkatchenko, Alexandre

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Accurate Machine Learned Quantum-Mechanical Force Fields for Biomolecular Simulations von Unke, Oliver T, Stöhr, Martin, Ganscha, Stefan, Unterthiner, Thomas, Maennel, Hartmut, Kashubin, Sergii, Ahlin, Daniel, Gastegger, Michael, Leonardo Medrano Sandonas, Tkatchenko, Alexandre, Klaus-Robert Müller

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