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J

Jesús Carrete

instituto de nanociencia y materiales de aragon

49H-index
217Paper Count
1.1WCitation Count
Published Papers 108
Publication Date
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Structural optimization in TensErLEED using a parameter tree and R-factor gradients
errnpj Computational Materials
IF11.9
err2026-10-14
err0
errOAAI
errAlexandra M. Imre; Paul Haidegger; Florian Kraushofer; Ralf Wanzenböck; Tobias Hable; Sarah Tobisch; Marie Kienzer; Florian Buchner; Jesús Carrete; Georg K. H. Madsen; Michael Schmid; Ulrike Diebold; Michele Riva
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Pulgon-tools: A toolkit for analysing and harnessing symmetries in quasi-1D systems
errComputer Physics Communications
IF3.4
err2026-08-06
err0
errOAAI
errYu-Jie Cen; Sandro Wieser; Georg K. H. Madsen; Jesús Carrete
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Software interoperability in electronic structure methods for atomistic materials simulations
errComputational Materials Science
IF3.3
err2026-07-01
err0
PREAI
errCarrete, Jesus; Garcia-Fernandez, Pablo; Gruning, Myrta; He, Xu; Pionteck, Mike N.; Protik, Nakib H.; Todorovic, Milica; Togo, Atsushi; Wang, Xing; Poloni, Roberta; Pruneda, Miguel; Cammarata, Antonio
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errSave
msmJAX: Fast and Differentiable Electrostatics on the GPU in Python
errComputer Physics Communications
IF3.4
err2026-04-12
err0
PREAI
errFlorian Buchner; Johannes Schörghuber; Nico Unglert; Jesús Carrete; Georg K.H Madsen
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errSave
The Coupling of Ferroelectric Polarization and Oxygen Vacancy Migration Enables Electrically Controlled Thermal Memories
errAdvanced Materials
IF26.8
err2026-03-30
err0
errOAAI
errDídac Barneo; Miquel Royo; Rafael Ramos; Jesús Carrete; Hugo Romero-Bernad; Ricardo Jiménez; Víctor Leborán; César Magén; Noa Varela-Domínguez; Miguel Algueró; Riccardo Rurali; José A. Pardo; Francisco Rivadulla; Eric Langenberg
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Accelerating quantum Monte Carlo calculations with set-equivariant architectures and transfer learning
errMachine Learning: Science and Technology
IF0
err2025-12-18
err0
errOAAI
errManuel Gallego; Sebastián Roca-Jerat; David Zueco; Jesús Carrete
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errSave
Mg vacancy and impurity-limited MgO single crystal thermal conductivity
errMaterials Today Physics
IF9.7
err2025-12-04
err0
PREAI
errHao Zhou; Hyun Woo; Jesús Carrete; Zilong Hua; Shantanu Saha; Hyejin Jang; Tianli Feng
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errSave
Accelerating First-Principles Molecular-Dynamics Thermal Conductivity Calculations for Complex Systems
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-12-01
err0
PREAI
errWieser, Sandro; Cen, Yu-Jie; Madsen, Georg K. H.; Carrete, Jesus
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Computing anharmonic infrared spectra of polycyclic aromatic hydrocarbons using machine learning molecular dynamics
errMonthly Notices of the Royal Astronomical Society
IF4.8
err2025-07-26
err0
errOAAI
errXinghong Mai; Zhao Wang; Lijun Pan; Johannes Schörghuber; Péter Kovács; Jesús Carrete; Georg K H Madsen
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errSave
First- and second-order quantum phase transitions in the long-range unfrustrated antiferromagnetic Ising chain
errPHYSICAL REVIEW B
IF3.7
err2025-01-21
err0
errOAAI
errHerraiz-Lopez, Victor; Roca-Jerat, Sebastian; Gallego, Manuel; Ferrandez, Ramon; Carrete, Jesus; Zueco, David; Roman-Roche, Juan
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errSave
Dynamical Disorder in the Mesophase Ferroelectric HdabcoClO4: A Machine-Learned Force Field Study
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2024-12-18
err0
PREAI
errSodahl, Elin Dypvik; Carrete, Jesus; Madsen, Georg K. H.; Berland, Kristian
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errSave
Transformer wave function for quantum long-range models
errPHYSICAL REVIEW B
IF3.7
err2024-11-25
err0
errOAAI
errRoca-Jerat, Sebastian; Gallego, Manuel; Luis, Fernando; Carrete, Jesus; Zueco, David
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errSave
Neural network enabled molecular dynamics study of HfO2 phase transitions
errPHYSICAL REVIEW B
IF3.7
err2024-11-07
err0
PREAI
errBichelmaier, Sebastian; Carrete, Jesus; Madsen, Georg K. H.
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errSave
Phonon Transport in Defect-Laden Bilayer Janus PtSTe Studied Using Neural-Network Force Fields
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2024-06-22
err0
errOAAI
errPan, Lijun; Carrete, Jesus; Wang, Zhao; Madsen, Georg K. H.
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errSave
Clinamen2: Functional-style evolutionary optimization in Python for atomistic structure searches ☆
errCOMPUTER PHYSICS COMMUNICATIONS
IF3.4
err2024-04-01
err2
errOAAI
errWanzenboeck, Ralf; Buchner, Florian; Kovacs, Peter; Madsen, Georg K. H.; Carrete, Jesus
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errSave
Thermal conductivity reduction in highly-doped cubic SiC by phonon-defect and phonon-electron scattering
errMATERIALS TODAY PHYSICS
IF9.7
err2024-02-01
err2
errOAAI
errPang, Guijian; Meng, Fanchen; Chen, Yani; Katre, Ankita; Carrete, Jesus; Dongre, Bonny; Madsen, Georg K. H.; Mingo, Natalio; Li, Wu
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errSave
Quantitative Predictions of the Thermal Conductivity in Transition Metal Dichalcogenides: Impact of Point Defects in MoS2 and WS2 Monolayers
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2024-01-18
err5
errOAAI
errMahendran, Srinivasan; Carrete, Jesus; Isacsson, Andreas; Madsen, Georg K. H.; Erhart, Paul
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errSave
Machine learning boosted ab initio study of the thermal conductivity of Janus PtSTe van der Waals heterostructures
errPHYSICAL REVIEW B
IF3.7
err2024-01-16
err4
errOAAI
errPan, Lijun; Carrete, Jesus; Wang, Zhao; Madsen, Georg K. H.
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errSave
Exploring inhomogeneous surfaces: Ti-rich SrTiO3(110) reconstructions via active learning
errDIGITAL DISCOVERY
IF5.6
err2024-01-01
err0
errOAAI
errWanzenboeck, Ralf; Heid, Esther; Riva, Michele; Franceschi, Giada; Imre, Alexander M.; Carrete, Jesus; Diebold, Ulrike; Madsen, Georg K. H.
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errSave
Light-driven dynamical tuning of the thermal conductivity in ferroelectrics
errNANOSCALE
IF5.1
err2024-01-01
err1
errOAAI
errCazorla, Claudio; Bichelmaier, Sebastian; Escorihuela-Sayalero, Carlos; Iniguez, Jorge; Carrete, Jesus; Rurali, Riccardo
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Research Directions

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Co-authors
Cooperation Journals
包
包信和 (Xinhe Bao)
H-index: 147 · Papers: 1.2K
李菊英 cover
李菊英 (Ju Li)
H-index: 147 · Papers: 1.3K
Yang REN cover
Yang REN (Yang Ren)
H-index: 132 · Papers: 1.7K
S
Su‐Huai Wei
H-index: 132 · Papers: 934
P
Paras N. Prasad
H-index: 131 · Papers: 1.2K
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