Name Card

Full name Familienname, Vorname
Carrete Montana, Jesús
 
Main Affiliation Organisations­zuordnung
 

Own Publications Eigene Publikationen

Results 1-20 of 71 (Search time: 0.004 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
2Unglert, 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
3Schörghuber, Johannes ; Carrete Montana, Jesús ; Madsen, Georg Kent Hellerup Electron‐Passing Neural NetworksInproceedings Konferenzbeitrag24-Sep-2023
4Wanzenböck, Ralf ; Buchner, Florian ; Carrete Montana, Jesús ; Madsen, Georg Kent Hellerup Accelerated Search for Surface ReconstructionsPresentation VortragSep-2023
5Unglert, 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
6Bichelmaier, 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
7Carrete-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
8Bichelmaier, 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
9Buchner, Florian ; Wanzenböck, Ralf ; Carrete Montana, Jesús ; Madsen, Georg Kent Hellerup Predicting platinum adatom geometries on hematite for single-atom catalysisPresentation Vortrag30-Mar-2023
10Unglert, 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
11Raya-Moreno, Martí ; Cartoixà, Xavier ; Carrete, Jesús BTE-Barna: An extension of almaBTE for thermal simulation of devices based on 2D materialsArticle Artikel Dec-2022
12Dongre, Bonny ; Carrete, Jesús ; Mingo, Natalio ; Madsen, Georg K. H. Thermal conductivity of group-III phosphides: The special case of GaPArticle Artikel 15-Nov-2022
13Wanzenböck, 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
14Bichelmaier, Sebastian ; Carrete, Jesús ; Nelhiebel, Michael ; Madsen, Georg K. H. Accurate First-Principles Treatment of the High-Temperature Cubic Phase of HafniaArticle Artikel Oct-2022
15Pan, Lijun ; Wang, Zhao ; Carrete Montana, Jesús ; Madsen, Georg Kent Hellerup Thermoelectric properties of the Janus PtSTe monolayer compared with its parent structuresInproceedings Konferenzbeitrag24-Aug-2022
16Buchner, Florian ; Wanzenböck, Ralf ; Carrete Montana, Jesús ; Madsen, Georg Kent Hellerup Adatom geometries for single atom catalysis on hematite predicted by an evolutionary strategyInproceedings Konferenzbeitrag23-Aug-2022
17Madsen, Georg Kent Hellerup ; Bichelmaier, Sebastian ; Carrete Montana, Jesús Combining effective harmonic potentials and a neural-network force field for the high-temperature HfO2 phase diagramInproceedings Konferenzbeitrag23-Aug-2022
18Pan, Lijun ; Wang, Zhao ; Carrete, Jesús ; Madsen, Georg Kent Hellerup Thermoelectric properties of the Janus PtSTe monolayer compared with its parent structuresArticle Artikel 1-Aug-2022
19Carrete Montana, Jesús Hands-on course on neural-network atomistic modelsPresentation Vortrag26-Jul-2022
20Raya-Moreno, Martí ; Carrete, Jesús ; Cartoixà, Xavier Hydrodynamic signatures in thermal transport in devices based on two-dimensional materials: An ab initio studyArticle Artikel 1-Jul-2022

Contributing Publications Mitbeteiligte Publikationen

Results 1-4 of 4 (Search time: 0.005 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
4Hoedl Stefan - 2022 - Sparse graph attention networks as efficient ionic liquid...pdf.jpgHödl, Stefan Sparse graph attention networks as efficient ionic liquid potentialsThesis Hochschulschrift 2022