224 citations · 455 across the 4 of their papers we have counts for
4 papers
A cloud platform for automating and sharing analysis of raw simulation data from high throughput polymer molecular dynamics simulations
Tian Xie, Ha-Kyung Kwon, Daniel Schweigert +9
Open material databases storing hundreds of thousands of material structures and their corresponding properties have become the cornerstone of modern computational materials scienc…
Accelerating amorphous polymer electrolyte screening by learning to reduce errors in molecular dynamics simulated properties
Tian Xie, Arthur France-Lanord, Yanming Wang +8
Polymer electrolytes are promising candidates for the next generation lithium-ion battery technology. Large scale screening of polymer electrolytes is hindered by the significant c…
Graph Dynamical Networks for Unsupervised Learning of Atomic Scale Dynamics in Materials
Tian Xie, Arthur France-Lanord, Yanming Wang +2
Understanding the dynamical processes that govern the performance of functional materials is essential for the design of next generation materials to tackle global energy and envir…
Correlations from ion-pairing and the Nernst-Einstein equation
Arthur France-Lanord, Jeffrey C. Grossman
We present a new approximation to ionic conductivity well suited to dynamical atomic-scale simulations, based on the Nernst-Einstein equation. In our approximation, ionic aggregate…