2 papers
cond-mat.mtrl-sci2020
From first- to second-order phase transitions in hybrid improper ferroelectrics through entropy stabilisation
Fernando Pomiro, Chris Ablitt, Nicholas C. Bristowe +4
Hybrid improper ferroelectrics (HIFs) have been intensely studied over the last few years to gain understanding of their temperature induced phase transitions and ferroelectric swi…
physics.comp-ph2019
Fast Neural Network Approach for Direct Covariant Forces Prediction in Complex Multi-Element Extended Systems
Jonathan P. Mailoa, Mordechai Kornbluth, Simon L. Batzner +5
Neural network force field (NNFF) is a method for performing regression on atomic structure-force relationships, bypassing expensive quantum mechanics calculation which prevents th…