GFN-2-xTB

Emerging

3papers using it

2024first seen

'GFN-2-xTB' is a machine-learned interatomic potential used to evaluate the reliability and efficiency of transition-state searches in reaction mechanisms across diverse chemical reactions.

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Papers using GFN-2-xTB (3)

Reliable and Efficient Automated Transition-State Searches with Machine-Learned Interatomic Potentials2026 · 1 cites

All-in-one foundational models learning across quantum chemical levels2024 · 4 cites

React-OT: Optimal Transport for Generating Transition State in Chemical Reactions2024 · 4 cites