Showing results (61-70 of 252) with videos related to
Sort By:
Pageof 26
The Journal of Chemical Physics|May 3, 2019
van der Waals interactions in DFT using Wannier functions without empirical parametersPier Luigi Silvestrelli, Alberto AmbrosettiJournal of Chemical Theory and Computation|May 12, 2018
Many-Body Descriptors for Predicting Molecular Properties with Machine Learning: Analysis of Pairwise and Three-Body Interactions in MoleculesWiktor Pronobis, Alexandre Tkatchenko, Klaus-Robert MüllerJournal of Chemical Theory and Computation|November 26, 2015
First-Principles Modeling of Non-Covalent Interactions in Supramolecular Systems: The Role of Many-Body EffectsAlexandre Tkatchenko, Dario Alfè, Kwang S KimThe Journal of Physical Chemistry Letters|September 24, 2021
Fine-Structure Constant Connects Electronic Polarizability and Geometric van-der-Waals Radius of AtomsAlexandre Tkatchenko, Dmitry V Fedorov, Matteo GoriThe Journal of Physical Chemistry Letters|August 14, 2020
Accurate Many-Body Repulsive Potentials for Density-Functional Tight Binding from Deep Tensor Neural NetworksMartin Stöhr, Leonardo Medrano Sandonas, Alexandre TkatchenkoThe Journal of Chemical Physics|November 29, 2023
Quantum-mechanical water-flow enhancement through a sub-nanometer carbon nanotubeAlberto Ambrosetti, Pier Luigi SilvestrelliThe Journal of Physical Chemistry Letters|February 24, 2017
Molecular Seesaw: Intricate Dynamics and Versatile Chemistry of Heteroaromatics on Metal SurfacesSergey N Filimonov, Wei Liu, Alexandre TkatchenkoNature Communications|July 18, 2024
Inverse mapping of quantum properties to structures for chemical space of small organic moleculesAlessio Fallani, Leonardo Medrano Sandonas, Alexandre TkatchenkoThe Journal of Physical Chemistry Letters|April 10, 2019
Faraday-like Screening by Two-Dimensional Nanomaterials: A Scale-Dependent Tunable EffectAlberto Ambrosetti, Pier Luigi SilvestrelliThe Journal of Chemical Physics|March 24, 2016
Communication: Enhanced chemical reactivity of graphene on a Ni(111) substrateAlberto Ambrosetti, Pier Luigi SilvestrelliPageof 26