Machine learning of solvent effects on molecular spectra and reactions

28 October 2020

Papers citing "Machine learning of solvent effects on molecular spectra and reactions"

5 / 5 papers shown

Title
Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond Kehan Guo Yili Shen Gisela Abigail Gonzalez-Montiel Yue Huang Yujun Zhou ... Zhichun Guo Prayel Das Nitesh Chawla Olaf Wiest Wei Wei 145 1 0 14 Feb 2025
Deep neural network solution of the electronic Schrödinger equation J. Hermann Zeno Schätzle Frank Noé 197 450 0 16 Sep 2019
Symmetry-adapted generation of 3d point sets for the targeted discovery of molecules Niklas W. A. Gebauer M. Gastegger Kristof T. Schütt 92 204 0 02 Jun 2019
By-passing the Kohn-Sham equations with machine learning Felix Brockherde Leslie Vogt Li Li M. Tuckerman K. Burke K. Müller AI4CE 41 606 0 09 Sep 2016
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