NeuralNEB - neural networks can find reaction paths fast

Mathias Schreiner, Arghya Bhowmik, Tejs Vegge, Peter Bjørn-Jørgensen, Ole Winther. NeuralNEB - neural networks can find reaction paths fast. Mach. Learn. Sci. Technol., 3(4):45022, December 2022. [doi]

Abstract

Abstract is missing.