123 citations · 131 across the 7 of their papers we have counts for
3 papers · 1 filter
Hundreds of new, stable, one-dimensional materials from a generative machine learning model
Hadeel Moustafa, Peder Meisner Lyngby, Jens Jørgen Mortensen +2
We use a generative neural network model to create thousands of new, one-dimensional materials. The model is trained using 508 stable one-dimensional materials from the Computation…
Data-driven discovery of novel 2D materials by deep generative models
Peder Lyngby, Kristian Sommer Thygesen
Efficient algorithms to generate candidate crystal structures with good stability properties can play a key role in data-driven materials discovery. Here we show that a crystal dif…
Exploring and machine learning structural instabilities in 2D materials
Simone Manti, Mark Kamper Svendsen, Nikolaj R. Knøsgaard +2
We address the problem of predicting the zero-temperature dynamical stability (DS) of a periodic crystal without computing its full phonon band structure. Here we report the eviden…