相关论文: Thermodynamic sampling of materials using neutral-…
Gate-based quantum image processing is constrained by qubit scarcity and the high overhead of quantum state preparation, limiting its applicability to realistic geometric data. We introduce a quantum-native framework for image matching on…
In this research, the ambient cured one part alkali activated material (AAM) containing graphene nanoplatelets (GNPs), fly ash, slag and silica fume has been investigated after high temperature exposure to 200 to 800oC. Their compressive…
Electrical currents in low-dimensional quantum materials can drive electrons far from equilibrium, creating stark imbalance between electron and lattice temperatures. Yet, no existing methods enable simultaneous nanoscale mapping of both…
We present the results of a multi-methodological study aimed at investigating the interaction between graphene and Tritium during its $\beta$-decay to Helium, under different levels of loading and geometrical configurations. We combine…
Ensuring a satisfactory statistical convergence of anharmonic thermodynamic properties requires sampling of many atomic configurations, however the methods to obtain those necessarily produce correlated samples, thereby reducing the…
Quantum simulation holds the promise of improving the atomic simulations used at EDF to anticipate the ageing of materials of interest. One simulator in particular seems well suited to modeling interacting electrons: the Rydberg atoms…
The electronic thermal conductivity of graphene and 2D Dirac materials is of fundamental interest and can play an important role in the performance of nano-scale devices. We report the electronic thermal conductivity, $K_{e}$, in suspended…
Drawing independent samples from high-dimensional probability distributions represents the major computational bottleneck for modern algorithms, including powerful machine learning frameworks such as deep learning. The quest for discovering…
The development of machine learning sheds new light on the problem of statistical thermodynamics in multicomponent alloys. However, a data-driven approach to construct the effective Hamiltonian requires sufficiently large data sets, which…
We demonstrate the first successful functionalization of epitaxial three-dimensional graphene with metal nanoparticles. The functionalization is obtained by immersing the 3D graphene in a nanoparticle colloidal solution. This method is…
QCDFT is a multiscale modeling approach that can simulate multi-million atoms effectively via density functional theory (DFT). The method is based on the framework of quasicontinuum (QC) approach with DFT as its sole energetics formulation.…
We investigate fundamental connections between thermodynamics and quantum information theory. First, we show that the operational framework of thermal operations is nonequivalent to the framework of Gibbs-preserving maps, and we comment on…
Vertical heterostructures of van der Waals materials enable new pathways to tune charge and energy transport characteristics in nanoscale systems. We propose that graphene Schottky junctions can host a special kind of photoresponse which is…
We performed Scanning Thermal Microscopy measurements on single layers of chemical-vapor-deposited -CVD- graphene supported by different substrates, namely SiO2, Al2O3 and PET using a double-scan technique to remove the contribution to the…
Graphene nanostructures exhibit an intrinsic advantage in relation to the gate delay in three-terminal devices and provide additional benefits when operate in the quantum capacitance limit. In this paper, we developed a simple model that…
Phonon size effects induce ballistic transport in nanomaterials, challenging Fourier's law. Nondiffusive heat transport is captured by the Peierls-Boltzmann transport equation (BTE), commonly solved under the relaxation time approximation…
Simulating the nonequilibrium dynamics of thermal states is a fundamental problem across scales from high energy to condensed matter physics. Quantum computers may provide a way to solve this problem efficiently. Preparing a thermal state…
The shape of a nanomechanical resonator profoundly affects its mechanical properties and determines its suitability for various applications, such as ultra-sensitive mass and force detection. Despite the promise of two-dimensional…
Graphite nanofibers (GNFs) have been demonstrated to be a promising material for hydrogen storage and heat management in electronic devices. Here, by means of first-principles and transport simulations, we show that GNFs can also be an…
In the near future, material and drug design may be aided by quantum computer assisted simulations. These have the potential to target chemical systems intractable by the most powerful classical computers. However, the resources offered by…