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Physical Review Letters|May 16, 2015
Electronic properties of molecules and surfaces with a self-consistent interatomic van der Waals density functionalNicola Ferri, Robert A DiStasio, Alberto Ambrosetti, et al.Journal of Chemical Theory and Computation|January 9, 2020
Accurate Description of Nuclear Quantum Effects with High-Order Perturbed Path Integrals (HOPPI)Igor Poltavsky, Venkat Kapil, Michele Ceriotti, et al.Physical Review Letters|May 1, 2012
Density-functional theory with screened van der Waals interactions for the modeling of hybrid inorganic-organic systemsVictor G Ruiz, Wei Liu, Egbert Zojer, et al.The Journal of Chemical Physics|July 2, 2018
Non-covalent interactions across organic and biological subsets of chemical space: Physics-based potentials parametrized from machine learningTristan Bereau, Robert A DiStasio, Alexandre Tkatchenko, et al.Physical Review Letters|January 17, 2012
Van der Waals interactions in ionic and semiconductor solidsGuo-Xu Zhang, Alexandre Tkatchenko, Joachim Paier, et al.Physical Review Letters|March 10, 2012
Fast and accurate modeling of molecular atomization energies with machine learningMatthias Rupp, Alexandre Tkatchenko, Klaus-Robert Müller, et al.Nature Communications|February 11, 2022
Optical van-der-Waals forces in molecules: from electronic Bethe-Salpeter calculations to the many-body dispersion modelAlberto Ambrosetti, Paolo Umari, Pier Luigi Silvestrelli, et al.Nature Communications|June 15, 2023
Efficient interatomic descriptors for accurate machine learning force fields of extended moleculesAdil Kabylda, Valentin Vassilev-Galindo, Stefan Chmiela, et al.The Journal of Physical Chemistry Letters|June 29, 2023
Optimized Quantum Drude Oscillators for Atomic and Molecular Response PropertiesSzabolcs Góger, Almaz Khabibrakhmanov, Ornella Vaccarelli, et al.The Journal of Chemical Physics|November 26, 2008
On the accuracy of density-functional theory exchange-correlation functionals for H bonds in small water clusters. II. The water hexamer and van der Waals interactionsBiswajit Santra, Angelos Michaelides, Martin Fuchs, et al.Pageof 21