81 citations · 85 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2025★ 4 cited
Free energy profiles for chemical reactions in solution from high-dimensional neural network potentials: The case of the Strecker synthesis
Alea Miako Tokita, Timothée Devergne, A. Marco Saitta +1
Machine learning potentials (MLPs) have become a popular tool in chemistry and materials science as they combine the accuracy of electronic structure calculations with the high com…
physics.chem-ph2023★ 81 cited
Tutorial: How to Train a Neural Network Potential
Alea Miako Tokita, Jörg Behler
The introduction of modern Machine Learning Potentials (MLP) has led to a paradigm change in the development of potential energy surfaces for atomistic simulations. By providing ef…