Jonathan Lahnsteiner

VASP Software (Austria) — Austria

Engineering · Physical Sciences

9h-index1.0kcitations20works2.32yr avg
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Research Topics

Perovskite Materials and Applications(15), Solid-state spectroscopy and crystallography(9), Machine Learning in Materials Science(8), Advanced Thermoelectric Materials and Devices(6), Organic and Molecular Conductors Research(2)

Publications20 total

Equivariant machine learning of electric field gradients—Predicting the quadrupolar coupling constant in the MAPbI3 phase transition
The Journal of Chemical Physics·2025· 1 citedOpen Access
Equivariant machine learning of Electric Field Gradients -- Predicting the quadrupolar coupling constant in the MAPbI$_3$ phase transition
arXiv (Cornell University)·2025Open Access
Tuning Einstein Oscillator Frequencies of Cation Rattlers: A Molecular Dynamics Study of the Lattice Thermal Conductivity of CsPbBr<sub>3</sub>
The Journal of Physical Chemistry C·2024· 8 citedOpen Access
Tuning Einstein Oscillator Frequencies of Cation Rattlers: A Molecular Dynamics Study of the Lattice Thermal Conductivity of CsPbBr$_3$
arXiv (Cornell University)·2024Open Access
Disorder to order: how halide mixing in MAPbI<sub>3−<i>x</i></sub>Br<sub><i>x</i></sub> perovskites restricts MA dynamics
Journal of Materials Chemistry A·2023· 17 citedOpen Access
Anharmonic lattice dynamics in large thermodynamic ensembles with machine-learning force fields: <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>Cs</mml:mi><mml:mi>Pb</mml:mi><mml:msub><mml:mi>Br</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math>, a phonon liquid with Cs rattlers
Physical review. B./Physical review. B·2022· 40 citedOpen Access
Exploring librational pathways with on-the-fly machine-learning force fields: Methylammonium molecules in MAPbX$_3$ (X=I, Br, Cl) perovskites
arXiv (Cornell University)·2021· 1 citedOpen Access
Exploring Librational Pathways with on-the-Fly Machine-Learning Force Fields: Methylammonium Molecules in MAPbX<sub>3</sub> (X = I, Br, Cl) Perovskites
The Journal of Physical Chemistry C·2021· 28 citedOpen Access
Anharmonic lattice dynamics in large thermodynamic ensembles with machine-learning force fields: the breakdown of the phonon quasiparticle picture in CsPbBr3
arXiv (Cornell University)·2021· 2 citedOpen Access
Long-range order imposed by short-range interactions in methylammonium lead iodide: Comparing point-dipole models to machine-learning force fields
Physical review. B./Physical review. B·2019· 19 citedOpen Access
Phase Transitions of Hybrid Perovskites Simulated by Machine-Learning Force Fields Trained on the Fly with Bayesian Inference
Physical Review Letters·2019· 584 citedOpen Access
The essence of long-range order in hybrid perovskites
arXiv (Cornell University)·2019· 1 citedOpen Access
The Finite Temperature Structure of the MAPbI3 Perovskite: Comparing Density Functional Approximations and Force Fields to Experiment
arXiv (Cornell University)·2018· 3 citedOpen Access
Assessing Density Functionals Using Many Body Theory for Hybrid Perovskites
Physical Review Letters·2017· 91 citedOpen Access
Behavior of Methylammonium Dipoles in MAPbX<sub>3</sub> (X = Br and I)
The Journal of Physical Chemistry Letters·2017· 141 citedOpen Access
Evaluating density functionals: case study for organic perovskites
Bulletin of the American Physical Society·2017
Room-temperature dynamic correlation between methylammonium molecules in lead-iodine based perovskites: An <i>ab initio</i> molecular dynamics perspective
Physical review. B./Physical review. B·2016· 68 citedOpen Access
Cation dynamics in halide organometal perovskites
University of Vienna·2016Open Access
A high-throughput strategy to controlled thawing of cryopreserved fish semen for large-scale laboratory fertilization trials - a simulation approach
Journal of Applied Ichthyology·2015
Untitled
UvA-DARE (University of Amsterdam)· 34 cited

Frequent Co-authors

Menno Bokdam(16), Georg Kresse(9), D. D. Sarma(4), Ryosuke Jinnouchi(3), G. A. de Wijs(3), Arno P. M. Kentgens(3), Abhinav Kumar(2), Cesare Franchini(2), Benjamin Ramberger(2), Jurn Heinen(2), Max Rang(2), Ferenc Karsai(1), Sharada Govinda(1), Bhushan P. Kore(1), Pratibha Mahale(1), Somnath Pal(1), Biswajit Bhattacharyya(1), Anshu Pandey(1), Tobias Schäfer(1), Kostas Fykouras(1)