78 citations · 78 across the 2 of their papers we have counts for
3 papers
physics.chem-ph2022
Transference number in polymer electrolytes: mind the reference-frame gap
Yunqi Shao, Harish Gudla, Daniel Brandell +1
The transport coefficients, in particular the transference number, of electrolyte solutions are important design parameters for electrochemical energy storage devices. Recent obser…
physics.chem-ph2021
Machine Learning Inference of Molecular Dipole Moment in Liquid Water
Lisanne Knijff, Chao Zhang
Molecular dipole moment in liquid water is an intriguing property, partly due to the fact that there is no unique way to partition the total electron density into individual molecu…
physics.comp-ph2019★ 78 cited
PiNN: A Python Library for Building Atomic Neural Networks of Molecules and Materials
Yunqi Shao, Matti Hellström, Pavlin D. Mitev +2
Atomic neural networks (ANNs) constitute a class of machine learning methods for predicting potential energy surfaces and physico-chemical properties of molecules and materials. De…