World's Best Scientists 2026 revealed!
Jesús Carrete

Jesús Carrete

D-Index & Metrics

Materials Science

D-Index
49
Citations
11642
World Ranking
10411
National Ranking
199

Overview

Jesús Carrete is a researcher affiliated with TU Wien in Austria, contributing extensively to the field of Materials Science. Their work spans both main and subfields of study including Materials Chemistry, Electrical and Electronic Engineering, Atomic and Molecular Physics and Optics, Condensed Matter Physics, and Catalysis.

The scientist's research output includes a substantial focus on topics such as Machine Learning in Materials Science, Thermal properties of materials, Advanced Thermoelectric Materials and Devices, 2D Materials and Applications, Ferroelectric and Negative Capacitance Devices, Electronic and Structural Properties of Oxides, and Graphene research and applications.

Jesús Carrete has published several papers recently that reflect a broad engagement with contemporary issues in materials physics and chemistry. Notable recent publications include:

  • "Ultrahigh Thermal Conductivity of θ-Phase Tantalum Nitride," 2021, Physical Review Letters
  • "A Differentiable Neural-Network Force Field for Ionic Liquids," 2021, Journal of Chemical Information and Modeling
  • "Shortcomings of meta-GGA functionals when describing magnetism," 2020, Physical review. B./Physical review. B
  • "Deep ensembles vs committees for uncertainty estimation in neural-network force fields: Comparison and application to active learning," 2023, The Journal of Chemical Physics
  • "The Effect of Janus Asymmetry on Thermal Transport in SnSSe," 2020, The Journal of Physical Chemistry C

Their frequent collaborators have included Georg K. H. Madsen, Sebastian Bichelmaier, Ralf Wanzenböck, Natalio Mingo, and Zhao Wang, highlighting a collaborative research network in related fields.

Jesús Carrete publishes regularly in leading academic venues, contributing the majority of their work to journals like arXiv (Cornell University), Physical review. B., Zenodo (CERN European Organization for Nuclear Research), The Journal of Physical Chemistry C, and Materials Today Physics.

Best Publications

  • BoltzTraP2, a program for interpolating band structures and calculating semi-classical transport coefficients

    Georg K.H. Madsen;Jesús Carrete;Matthieu J. Verstraete

  • Finding Unprecedentedly Low-Thermal-Conductivity Half-Heusler Semiconductors via High-Throughput Materials Modeling

    Jesús Carrete;Wu Li;Natalio Mingo;Shidong Wang

  • Phonon thermal transport in strained and unstrained graphene from first principles

    L. Lindsay;Wu Li;Jesús Carrete;Natalio Mingo

  • Thermal conductivity and phonon linewidths of monolayer MoS2 from first principles

    Wu Li;J. Carrete;Natalio Mingo

  • almaBTE : A solver of the space–time dependent Boltzmann transport equation for phonons in structured materials

    Jesús Carrete;Jesús Carrete;Bjorn Vermeersch;Ankita Katre;Ambroise van Roekeghem

  • Physically founded phonon dispersions of few-layer materials and the case of borophene

    Jesús Carrete;Wu Li;Lucas Lindsay;David A. Broido

  • Low thermal conductivity and triaxial phononic anisotropy of SnSe

    Jesús Carrete;Natalio Mingo;Stefano Curtarolo

  • Strong enhancement of phonon scattering through nanoscale grains in lead sulfide thermoelectrics

    Haijun Wu;Haijun Wu;Jesús Carrete;Zhiyun Zhang;Yongquan Qu

  • Nanograined Half‐Heusler Semiconductors as Advanced Thermoelectrics: An Ab Initio High‐Throughput Statistical Study

    Jesús Carrete;Natalio Mingo;Shidong Wang;Stefano Curtarolo

  • Unexpected high-temperature stability of β-Zn4Sb3 opens the door to enhanced thermoelectric performance.

    Jianping Lin;Xudong Li;Guanjun Qiao;Zhao Wang

  • How Chemical Composition Alone Can Predict Vibrational Free Energies and Entropies of Solids

    Fleur Legrain;Jesús Carrete;Ambroise van Roekeghem;Stefano Curtarolo

  • Molecular dynamics simulation of the structure and dynamics of water-1-alkyl-3-methylimidazolium ionic liquid mixtures.

    Trinidad Méndez-Morales;Jesús Carrete;Óscar Cabeza;Luis J. Gallego

  • High-Throughput Computation of Thermal Conductivity of High-Temperature Solid Phases: The Case of Oxide and Fluoride Perovskites

    Ambroise van Roekeghem;Jesús Carrete;Corey Oses;Stefano Curtarolo

  • Temperature and Thickness Dependences of the Anisotropic In‐Plane Thermal Conductivity of Black Phosphorus

    Brandon Smith;Bjorn Vermeersch;Jesús Carrete;Eric Ou

  • Effect of nitrogen and vacancy defects on the thermal conductivity of diamond: An ab initio Green's function approach

    N. A. Katcho;J. Carrete;Wu Li;N. Mingo

  • Superdiffusive heat conduction in semiconductor alloys. I. Theoretical foundations

    Bjorn Vermeersch;Jesús Carrete;Natalio Mingo;Ali Shakouri

  • Twisting phonons in complex crystals with quasi-one-dimensional substructures

    Xi Chen;Annie Weathers;Jesús Carrete;Saikat Mukhopadhyay

  • Solvation of lithium salts in protic ionic liquids: a molecular dynamics study.

    Trinidad Méndez-Morales;Jesús Carrete;Óscar Cabeza;Olga Russina

  • Effect of temperature and cationic chain length on the physical properties of ammonium nitrate-based protic ionic liquids.

    S Bouzón Capelo;T Méndez-Morales;J Carrete;E López Lago

  • Materials Screening for the Discovery of New Half-Heuslers: Machine Learning versus ab Initio Methods

    Fleur Legrain;Jesús Carrete;Ambroise van Roekeghem;Georg K.H. Madsen

  • MD simulations of the formation of stable clusters in mixtures of alkaline salts and imidazolium-based ionic liquids.

    Trinidad Méndez-Morales;Jesús Carrete;Silvia Bouzón-Capelo;Martín Pérez-Rodríguez

  • Surface roughness and thermal conductivity of semiconductor nanowires: Going below the Casimir limit

    Jesús Carrete;Luis Javier Gallego;Luis Miguel Varela;Natalio Mingo

  • Low thermal conductivity and triaxial phononic anisotropy of SnSe

    Jesús Carrete;Natalio Mingo;Stefano Curtarolo

  • How the Chemical Composition Alone Can Predict Vibrational Free Energies and Entropies of Solids

    Fleur Legrain;Jesús Carrete;Ambroise van Roekeghem;Stefano Curtarolo

Frequent Co-Authors

Natalio Mingo
Natalio Mingo Grenoble Alpes University
Stefano Curtarolo
Stefano Curtarolo Duke University
Li Shi
Li Shi The University of Texas at Austin
Alexander Tropsha
Alexander Tropsha University of North Carolina at Chapel Hill
Guanjun Qiao
Guanjun Qiao Jiangsu University
Haijun Wu
Haijun Wu Xi'an Jiaotong University
Armando Rastelli
Armando Rastelli Johannes Kepler University of Linz
Riccardo Rurali
Riccardo Rurali Institut de Ciència de Materials de Barcelona
Eva Zurek
Eva Zurek University at Buffalo, State University of New York
Ard A. Louis
Ard A. Louis University of Oxford

If you think any of the details on this page are incorrect, let us know.

Report an issue

We appreciate your kind effort to assist us to improve this page, it would be helpful providing us with as much detail as possible in the text box below:

Best Scientists Citing Jesús Carrete

Trending Scientists

Recently Published Articles