Predicting molecular dipole moments by combining atomic partial charges and atomic dipoles

27 March 2020

Papers citing "Predicting molecular dipole moments by combining atomic partial charges and atomic dipoles"

3 / 3 papers shown

Title
Feature Optimization for Atomistic Machine Learning Yields A Data-Driven Construction of the Periodic Table of the Elements M. J. Willatt Félix Musil Michele Ceriotti 25 50 0 30 Jun 2018
Machine Learning Molecular Dynamics for the Simulation of Infrared Spectra M. Gastegger J. Behler P. Marquetand AI4CE 23 334 0 16 May 2017
Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning M. Rupp A. Tkatchenko K. Müller O. A. von Lilienfeld AI4CE 120 1,581 0 12 Sep 2011