Name Card

Full name Familienname, Vorname
Madsen, Georg Kent Hellerup
 
Main Affiliation Organisations­zuordnung
 

Own Publications Eigene Publikationen

Results 1-20 of 101 (Search time: 0.005 seconds).

PreviewAuthor(s)TitleTypeIssue Date
1Wanzenböck, Ralf ; Buchner, Florian ; Kovács, Péter ; Madsen, Georg Kent Hellerup ; Carrete, Jesús Clinamen2: Functional-style evolutionary optimization in Python for atomistic structure searchesArticle Artikel Apr-2024
2Kovács, Péter ; Blaha, Peter ; Madsen, Georg K H Origin of the success of mGGAs for bandgapsArticle Artikel 29-Dec-2023
3Heid, Esther ; Probst, Daniel ; Green, William H ; Madsen, Georg Kent Hellerup EnzymeMap: curation, validation and data-driven prediction of enzymatic reactionsArticle Artikel 28-Dec-2023
4Unglert, Nico ; Carrete, Jesús ; Pártay, Livia B. ; Madsen, Georg K.H. Neural-network force field backed nested sampling: Study of the silicon 𝑝-𝑇 phase diagramArticle Artikel 20-Dec-2023
5Bosoni, Emanuele ; Beal, Louis ; Bercx, Marnik ; Blaha, Peter ; Blügel, Stefan ; Bröder, Jens ; Callsen, Martin ; Cottenier, Stefaan ; Degomme, Augustin ; Dikan, Vladimir ; Eimre, Kristjan ; Flage-Larsen, Espen ; Fornari, Marco ; Garcia, Alberto ; Genovese, Luigi ; Giantomassi, Matteo ; Huber, Sebastiaan P. ; Janssen, Henning ; Kastlunger, Georg ; Krack, Matthias ; Kresse, Georg ; Kühne, Thomas D. ; Lejaeghere, Kurt ; Madsen, Georg Kent Hellerup ; Marsman, Martijn ; Marzari, Nicola ; Michalicek, Gregor ; Mirhosseini, Hossein ; Müller, Tiziano M. A. ; Petretto, Guido ; Pickard, Chris J. ; Poncé, Samuel ; Rignanese, Gian-Marco ; Rubel, Oleg ; Ruh, Thomas ; Sluydts, Michael ; Vanpoucke, Danny E. P. ; Vijay, Sudarshan ; Wolloch, Michael ; Wortmann, Daniel ; Yakutovich, Aliaksandr V. ; Yu, Jusong ; Zadoks, Austin ; Zhu, Bonan ; Pizzi, Giovanni How to verify the precision of density-functional-theory implementations via reproducible and universal workflowsArticle Artikel 14-Nov-2023
6Heid, Esther Carina ; McGill, Charles ; Vermeire, Florence ; Green, William H ; Madsen, Georg Kent Hellerup Errors and Uncertainty in Machine Learning ModelsPresentation Vortrag25-Sep-2023
7Schörghuber, Johannes ; Carrete Montana, Jesús ; Madsen, Georg Kent Hellerup Electron‐Passing Neural NetworksInproceedings Konferenzbeitrag24-Sep-2023
8Wanzenböck, Ralf ; Buchner, Florian ; Carrete Montana, Jesús ; Madsen, Georg Kent Hellerup Accelerated Search for Surface ReconstructionsPresentation VortragSep-2023
9Unglert, Nico ; Carrete Montana, Jesús ; Pártay, Livia B. ; Madsen, Georg Kent Hellerup Exploration of Materials Configuration Spaces using Neural Network Force Fields and Nested SamplingInproceedings KonferenzbeitragJul-2023
10Wolf, Maximilian ; Madsen, Georg K. H. ; Dimopoulos, Theodoros Accelerated screening of Cu–Ga–Fe oxide semiconductors by combinatorial spray deposition and high-throughput analysisArticle Artikel 21-Jun-2023
11Bichelmaier, Sebastian ; Carrete, Jesús ; Madsen, Georg K. H. Evaluating the efficiency of power‐series expansions as model potentials for finite‐temperature atomistic calculationsArticle Artikel 5-Jun-2023
12Carrete-2023-Journal of Chemical Physics-vor.pdf.jpgCarrete, Jesús ; Montes-Campos, Hadrián ; Wanzenböck, Ralf ; Heid, Esther ; Madsen, Georg K H Deep ensembles vs committees for uncertainty estimation in neural-network force fields: Comparison and application to active learningArticle Artikel 28-May-2023
13Bichelmaier, Sebastian ; Carrete, Jesús ; Wanzenböck, Ralf ; Buchner, Florian ; Madsen, Georg K. H. Neural-network-backed effective harmonic potential study of the ambient pressure phases of hafniaArticle Artikel 17-May-2023
14Buchner, Florian ; Wanzenböck, Ralf ; Carrete Montana, Jesús ; Madsen, Georg Kent Hellerup Predicting platinum adatom geometries on hematite for single-atom catalysisPresentation Vortrag30-Mar-2023
15Unglert, Nico ; Carrete Montana, Jesús ; Pártay, Livia B. ; Madsen, Georg Kent Hellerup Neural-Network-Based Nested Sampling for Efficient Exploration of Configuration Space: A Silicon Case StudyPresentation Vortrag12-Feb-2023
16Madsen, Georg Kent Hellerup Exploring the Potential Energy Surface to Describe Phonon-Defect ScatteringPresentation Vortrag29-Nov-2022
17Dongre, Bonny ; Carrete, Jesús ; Mingo, Natalio ; Madsen, Georg K. H. Thermal conductivity of group-III phosphides: The special case of GaPArticle Artikel 15-Nov-2022
18Wanzenböck, Ralf ; Arrigoni, Marco ; Bichelmaier, Sebastian ; Buchner, Florian ; Carrete, Jesús ; Madsen, Georg K H Neural-network-backed evolutionary search for SrTiO₃(110) surface reconstructionsArticle Artikel 1-Oct-2022
19Bichelmaier, Sebastian ; Carrete, Jesús ; Nelhiebel, Michael ; Madsen, Georg K. H. Accurate First-Principles Treatment of the High-Temperature Cubic Phase of HafniaArticle Artikel Oct-2022
20Madsen, Georg Kent Hellerup Transferability of neural-network force fields for evolutionary structure searchesPresentation Vortrag15-Sep-2022

Contributing Publications Mitbeteiligte Publikationen

Results 1-6 of 6 (Search time: 0.007 seconds).

PreviewAuthor(s)TitleTypeIssue Date
1Buckova Nina - 2023 - Van-der-Waals interactions in neural-network force fields.pdf.jpgBučková, Nina Van-der-Waals interactions in neural-network force fieldsThesis Hochschulschrift 2023
2Schoerghuber Johannes - 2023 - Electrostatic interactions in neural-network...pdf.jpgSchörghuber, Johannes Electrostatic interactions in neural-network force fieldsThesis Hochschulschrift 2023
3Bichelmaier Sebastian - 2023 - Ab-initio modelling of material properties using...pdf.jpgBichelmaier, Sebastian Ab-initio modelling of material properties using elements of artificial intelligenceThesis Hochschulschrift 2023
4Kovacs Peter - 2021 - Machine learning application for DFT exchange functionals.pdf.jpgKovács, Péter Machine learning application for DFT exchange functionalsThesis Hochschulschrift 2021
5Dongre Bonny - 2018 - Predictive calculation of point-defect phonon scattering...pdf.jpgDongre, Bonny Predictive calculation of point-defect phonon scattering in semiconductorsThesis Hochschulschrift 2018
6Haas, Philipp The generalized gradient approximation in solids and moleculesThesis Hochschulschrift2010