Accelerating Finite-temperature Kohn-Sham Density Functional Theory with Deep Neural Networks

10 October 2020

Papers citing "Accelerating Finite-temperature Kohn-Sham Density Functional Theory with Deep Neural Networks"

5 / 5 papers shown

Title
A practical guide to machine learning interatomic potentials -- Status and future Ryan Jacobs D. Morgan Siamak Attarian Jun Meng Chen Shen ... K. J. Schmidt So Takamoto Aidan Thompson Julia Westermayr Brandon M. Wood 64 4 0 12 Mar 2025
Grad DFT: a software library for machine learning enhanced density functional theory Pablo Antonio Moreno Casares Jack S. Baker Matija Medvidović Roberto Dos Reis J. M. Arrazola 13 9 0 23 Sep 2023
D4FT: A Deep Learning Approach to Kohn-Sham Density Functional Theory Tianbo Li Min Lin Zheyuan Hu Kunhao Zheng G. Vignale Kenji Kawaguchi A. Neto K. Novoselov Shuicheng Yan 180 9 0 01 Mar 2023
Learning Partial Differential Equations by Spectral Approximates of General Sobolev Spaces Juan Esteban Suarez Cardona Phil-Alexander Hofmann Michael Hecht 32 3 0 12 Jan 2023
Scientific Machine Learning for Modeling and Simulating Complex Fluids Kyle R. Lennon G. McKinley J. Swan AI4CE 11 27 0 10 Oct 2022