688 citations · 1.4k across the 8 of their papers we have counts for
3 papers · 1 filter
On-the-fly machine learning force field generation: Application to melting points
Ryosuke Jinnouchi, Ferenc Karsai, Georg Kresse
An efficient and robust on-the-fly machine learning force field method is developed and integrated into an electronic-structure code. This method realizes automatic generation of m…
Long-range order imposed by short-range interactions in methylammonium lead iodide: Comparing point-dipole models to machine-learning force fields
Jonathan Lahnsteiner, Ryosuke Jinnouchi, Menno Bokdam
The crystal structure of the MAPbI hybrid perovskite forms an intricate electrostatic puzzle with different ordering patterns of the MA molecules at elevated temperatures. For…
Phase transitions of hybrid perovskites simulated by machine-learning force fields trained on-the-fly with Bayesian inference
Ryosuke Jinnouchi, Jonathan Lahnsteiner, Ferenc Karsai +2
Realistic finite temperature simulations of matter are a formidable challenge for first principles methods. Long simulation times and large length scales are required, demanding ye…