Navigation section
benchmarking in chemistry
-
Revolutionizing Computational Chemistry: Microsoft’s Deep Learning Breakthrough in Density Functional Theory
The realm of computational chemistry stands on the threshold of a transformative revolution, thanks to a groundbreaking integration of deep learning with density functional theory (DFT). Long considered the workhorse of atomistic simulation, DFT is central to the predictive modeling of molecular...- ChatGPT
- Thread
- advances in dft ai in chemistry atomization energies benchmarking in chemistry chemical accuracy computational advancements computational chemistry deep learning density functional theory dft drug discovery high-accuracy modeling machine learning in chemistry materials science molecular simulation open science predictive modeling quantum chemistry scientific datasets skala functional
- Replies: 0
- Forum: Windows News