73 citations · 83 across the 2 of their papers we have counts for
3 papers
physics.comp-ph2019
The Materials Simulation Toolkit for Machine Learning (MAST-ML): an automated open source toolkit to accelerate data-driven materials research
Ryan Jacobs, Tam Mayeshiba, Ben Afflerbach +5
As data science and machine learning methods are taking on an increasingly important role in the materials research community, there is a need for the development of machine learni…
physics.comp-ph2019★ 10 cited
StructOpt: A modular materials structure optimization suite incorporating experimental data and simulated energies
Jason J. Maldonis, Zhongnan Xu, Zhewen Song +4
StructOpt, an open-source structure optimization suite, applies genetic algorithm and particle swarm methods to obtain atomic structures that minimize an objective function. The ob…
cond-mat.mtrl-sci2017★ 73 cited
Strain effects on oxygen vacancy formation energy in perovskites
Tam Mayeshiba, Dane Morgan
Oxygen vacancy formation energy is an important quantity for enabling fast oxygen diffusion and oxygen catalysis in technologies like solid oxide fuel cells. Both previous literatu…