2 citations · 3 across the 4 of their papers we have counts for
5 papers · 1 filter
Accuracy and limitations of the bond polarizability model in modeling of Raman scattering from molecular dynamics simulations
Atanu Paul, Maya Rubenstein, Anthony Ruffino +3
Calculation of Raman scattering from molecular dynamics (MD) simulations requires accurate modeling of the evolution of the electronic polarizability of the system along its MD tra…
An atomistic model of electronic polarizability for calculation of Raman scattering from large-scale MD simulations
Atanu Paul, Anthony Ruffino, Stefan Masiuk +2
The application of molecular dynamics (MD) simulations to the interpretation of Raman scattering spectra is hindered by inability of atomistic simulations to account for the dynami…
Identification of high-reliability regions of machine learning predictions in materials science using transparent conducting oxides and perovskites as examples
Evan M. Askanazi, Emanuel A. Lazar, Ilya Grinberg
Progress in the application of machine learning (ML) methods to materials design is hindered by the lack of understanding of the reliability of ML predictions, in particular for th…
Distance-based Analysis of Machine Learning Prediction Reliability for Datasets in Materials Science and Other Fields
Evan Askanazi, Ilya Grinberg
Despite successful use in a wide variety of disciplines for data analysis and prediction, machine learning (ML) methods suffer from a lack of understanding of the reliability of pr…
Local Probing of Mesoscopic Physics of Ferroelectric Domain Walls
Vasudeva Rao Aravind, A. N. Morozovska, I. Grinberg +14
Domain wall dynamics in ferroic materials underpins functionality of data storage and information technology devices. Using localized electric field of a scanning probe microscopy…