A Transferable Recommender Approach for Selecting the Best Density Functional Approximations in Chemical Discovery

21 July 2022

Papers citing "A Transferable Recommender Approach for Selecting the Best Density Functional Approximations in Chemical Discovery"

3 / 3 papers shown

Title
Accurate transition state generation with an object-aware equivariant elementary reaction diffusion model Chenru Duan Yuanqi Du Haojun Jia Heather J. Kulik DiffM 29 46 0 12 Apr 2023
E(3)-Equivariant Graph Neural Networks for Data-Efficient and Accurate Interatomic Potentials Simon L. Batzner Albert Musaelian Lixin Sun Mario Geiger J. Mailoa M. Kornbluth N. Molinari Tess E. Smidt Boris Kozinsky 215 1,240 0 08 Jan 2021
Deep neural network solution of the electronic Schrödinger equation J. Hermann Zeno Schätzle Frank Noé 149 446 0 16 Sep 2019