List of works - Jesús Carrete

A density-functional study of the structures and electronic properties of neutral, anionic, and endohedrally doped InxPx clusters

scientific article published on 01 August 2009

A density-functional study of the vertical ionization potentials of the cluster Mn13

scientific article published on 01 July 2009

Anisotropic Thermal Conductivity in Few-Layer and Bulk Titanium Trisulphide from First Principles

scientific article published on 08 April 2020

Dynamical Properties of Alcohol + 1-Hexyl-3-methylimidazolium Ionic Liquid Mixtures: A Computer Simulation Study

scientific article published on 06 December 2011

Effect of Temperature and Cationic Chain Length on the Physical Properties of Ammonium Nitrate-Based Protic Ionic Liquids

scientific article published on 05 September 2012

Electronic properties of pure and p-type doped hexagonal sheets and zigzag nanoribbons of InP

scientific article published on 30 January 2013

Human Immune Protein C1q Selectively Disaggregates Carbon Nanotubes

scientific article published on 22 May 2017

Investigation of the Local Structure of Mixtures of an Ionic Liquid with Polar Molecular Species through Molecular Dynamics: Cluster Formation and Angular Distributions

scientific article published on 15 May 2012

Liquid–solid–liquid phase transition hysteresis loops in the ionic conductivity of ten imidazolium-based ionic liquids

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

scientific article published on 12 March 2013

Magnetism of substitutional Fe impurities in graphene nanoribbons

scientific article published on 01 January 2011

Materials Screening for the Discovery of New Half-Heuslers: Machine Learning Versus Ab Initio Methods.

scientific article published on 25 July 2017

Mixtures of protic ionic liquids and molecular cosolvents: a molecular dynamics simulation

scientific article published in June 2014

Molecular Dynamics Simulation of the Structure and Dynamics of Water–1-Alkyl-3-methylimidazolium Ionic Liquid Mixtures

article

Molecular Dynamics Simulations of the Structural and Thermodynamic Properties of Imidazolium-Based Ionic Liquid Mixtures

scientific article published on 07 September 2011

Molecular dynamics simulations of the structure of the graphene-ionic liquid/alkali salt mixtures interface

scientific article published in July 2014

Nanostructure of mixtures of protic ionic liquids and lithium salts: effect of alkyl chain length

scientific article published on 01 February 2015

Nonequilibrium nanothermodynamics

scientific article published on 14 February 2008

Phonon Scattering by Dislocations in GaN

scientific article published on 12 February 2019

Phonon thermal transport in strained and unstrained graphene from first principles

scholarly article in Physical Review B, vol. 89 no. 15, April 2014

Prediction of phonon thermal transport in thin GaAs, InAs and InP nanowires by molecular dynamics simulations: influence of the interatomic potential

scientific article published on 22 March 2011

Predictive Design and Experimental Realization of InAs/GaAs Superlattices with Tailored Thermal Conductivity

Pseudolattice Theory of the Surface Tension of Ionic Liquid−Water Mixtures

scientific article published on 01 September 2009

Pseudolattice theory of charge transport in ionic solutions: Corresponding states law for the electric conductivity

Re-entrant phase behavior for systems with competition between phase separation and self-assembly

article

Solvation of Lithium Salts in Protic Ionic Liquids: A Molecular Dynamics Study

scientific article published on 09 January 2014

Structural Complexity and Phonon Physics in 2D Arsenenes

scientific article published on 12 March 2017

Surfactant Self-Assembly Nanostructures in Protic Ionic Liquids

scientific article published on 07 June 2011

Theoretical model for moisture adsorption on ionic liquids: A modified Brunauer–Emmet–Teller isotherm approach

Thermal Conductivity of Ionic Liquids: A Pseudolattice Approach

Thermal transport through Ge-rich Ge/Si superlattices grown on Ge(0 0 1)

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

scientific article published on 15 April 2015

Unexpected High-Temperature Stability of β-Zn4Sb3 Opens the Door to Enhanced Thermoelectric Performance

scientific article published on 13 January 2014

What will freestanding borophene nanoribbons look like? An analysis of their possible structures, magnetism and transport properties. ⬇️

scientific article published on 15 December 2016

List of works by Jesús Carrete