Publications by authors named "Jonathan Lahnsteiner"

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Equivariant machine learning of electric field gradients-Predicting the quadrupolar coupling constant in the MAPbI3 phase transition.
Bernhard Schmiedmayer, Jop W Wolffs, Gilles A de Wijs, Arno P M Kentgens, Jonathan Lahnsteiner

J Chem Phys· December 2025

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Disorder to order: how halide mixing in MAPbIBr perovskites restricts MA dynamics.
Kostas Fykouras, Jonathan Lahnsteiner, Nico Leupold, Paul Tinnemans, Ralf Moos

J Mater Chem A Mater· February 2023

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Exploring Librational Pathways with on-the-Fly Machine-Learning Force Fields: Methylammonium Molecules in MAPbX (X = I, Br, Cl) Perovskites.
Menno Bokdam, Jonathan Lahnsteiner, D D Sarma

J Phys Chem C Nanomater Interfaces· September 2021

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Phase Transitions of Hybrid Perovskites Simulated by Machine-Learning Force Fields Trained on the Fly with Bayesian Inference.
Ryosuke Jinnouchi, Jonathan Lahnsteiner, Ferenc Karsai, Georg Kresse, Menno Bokdam

Phys Rev Lett· June 2019

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Assessing Density Functionals Using Many Body Theory for Hybrid Perovskites.
Menno Bokdam, Jonathan Lahnsteiner, Benjamin Ramberger, Tobias Schäfer, Georg Kresse

Phys Rev Lett· October 2017

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Behavior of Methylammonium Dipoles in MAPbX (X = Br and I).
Sharada Govinda, Bhushan P Kore, Menno Bokdam, Pratibha Mahale, Abhinav Kumar, Jonathan Lahnsteiner

J Phys Chem Lett· September 2017

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