Georg K. H. Madsen
Technische Universität Wien
H-index: 51
Europe-Austria
Top articles of Georg K. H. Madsen
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
How to verify the precision of density-functional-theory implementations via reproducible and universal workflows | Emanuele Bosoni Louis Beal Marnik Bercx Peter Blaha Stefan Blügel | 2024/1 | |
Quantitative Predictions of the Thermal Conductivity in Transition Metal Dichalcogenides: Impact of Point Defects in MoS2 and WS2 Monolayers | The Journal of Physical Chemistry C | Srinivasan Mahendran Jesús Carrete Andreas Isacsson Georg KH Madsen Paul Erhart | 2024/1/18 |
Clinamen2: Functional-style evolutionary optimization in Python for atomistic structure searches | Computer Physics Communications | Ralf Wanzenböck Florian Buchner Péter Kovács Georg KH Madsen Jesús Carrete | 2024/4/1 |
Spatially resolved uncertainties for machine learning potentials | Esther Heid Johannes Schörghuber Ralf Wanzenböck Georg KH Madsen | 2024/5/2 | |
Machine learning boosted study of the thermal conductivity of Janus PtSTe van der Waals heterostructures | Physical Review B | Lijun Pan Jesús Carrete Zhao Wang Georg KH Madsen | 2024/1/16 |
Supplementary Information for Electron-induced nonmonotonic pressure dependence of the lattice thermal conductivity of θ-TaN | Ashis Kundu Yani Chen Xiaolong Yang Fanchen Meng Jesús Carrete | 2024 | |
Thermal conductivity reduction in highly-doped cubic SiC by phonon-defect and phonon-electron scattering | Materials Today Physics | Guijian Pang Fanchen Meng Yani Chen Ankita Katre Jesús Carrete | 2024/2/3 |
Supplemental Material: Machine-learning-boosted ab-initio study of the thermal conductivity of Janus PtSTe van der Waals heterostructures | Lijun Pan Jesús Carrete Zhao Wang Georg KH Madsen | 2024 | |
LoGAN: Local generative adversarial network for novel structure prediction | Péter Kovács Esther Heid Georg KH Madsen | 2024/4/9 | |
Predicting platinum adatom geometries on hematite for single-atom catalysis | Florian Buchner Ralf Wanzenböck Jesús Carrete Montana Georg Kent Hellerup Madsen | 2023/3/30 | |
Neural-network force field backed nested sampling: Study of the silicon phase diagram | Physical Review Materials | Nico Unglert Jesús Carrete Livia B Pártay Georg KH Madsen | 2023/12/20 |
Accelerated screening of Cu–Ga–Fe oxide semiconductors by combinatorial spray deposition and high-throughput analysis | Materials Advances | Maximilian Wolf Georg KH Madsen Theodoros Dimopoulos | 2023 |
Evaluating the efficiency of power‐series expansions as model potentials for finite‐temperature atomistic calculations | International Journal of Quantum Chemistry | Sebastian Bichelmaier Jesús Carrete Georg KH Madsen | 2023/6/5 |
Accelerated Search for Surface Reconstructions | Ralf Wanzenböck Florian Buchner Jesús Carrete Montana Georg Kent Hellerup Madsen | 2023 | |
Errors and Uncertainty in Machine Learning Models | Esther Carina Heid Charles McGill Florence Vermeire William H Green Georg Kent Hellerup Madsen | 2023/9/25 | |
EnzymeMap: curation, validation and data-driven prediction of enzymatic reactions | Chemical Science | Esther Heid Daniel Probst William H Green Georg KH Madsen | 2023 |
Deep ensembles vs committees for uncertainty estimation in neural-network force fields: Comparison and application to active learning | The Journal of Chemical Physics | Jesús Carrete Hadrián Montes-Campos Ralf Wanzenböck Esther Heid Georg KH Madsen | 2023/5/28 |
Neural-Network-Based Nested Sampling for Efficient Exploration of Configuration Space: A Silicon Case Study | Nico Unglert Jesús Carrete Montana Livia B Pártay Georg Kent Hellerup Madsen | 2023/2/12 | |
Origin of the success of mGGAs for bandgaps | The Journal of Chemical Physics | Péter Kovács Peter Blaha Georg KH Madsen | 2023/12/28 |
Fleur | Zenodo | Daniel Wortmann Gregor Michalicek Nadjib Baadji Markus Betzinger Gustav Bihlmayer | 2023 |
Co-Authors
