Related papers: Heat flux for semi-local machine-learning potentia…
In this work, we obtain the numerical temperature field to a thermally developing fluid flow inside parallel plates problem with a quantum computing method. The physical problem deals with the heat transfer of a steady state,…
The design of new applications, especially those based on heterogeneous integration, must rely on detailed knowledge of material properties, such as thermal conductivity (TC). To this end, multiple methods have been developed to study TC as…
The problem of simulating the thermal behavior of quantum systems remains a central open challenge in quantum computing. Unlike well-established quantum algorithms for unitary dynamics, \emph{provably efficient} algorithms for preparing…
The performance potential for simulating quantum electron transport on graphical processing units (GPUs) is studied. Using graphene ribbons of realistic sizes as an example it is shown that GPUs provide significant speed-ups in comparison…
The traditional approach to studying near-field thermal transfer is based on fluctuational electrodynamics. However, this approach may not be suitable for nonequilibrium states due to dynamic drivings. In our work, we introduce a…
We introduce a $d$-dimensional system of charged harmonic oscillators in a magnetic field perturbed by a stochastic dynamics which conserves energy but not momentum. We study the thermal conductivity via the Green-Kubo formula, focusing on…
We investigate the thermal conductivity ($\kappa$) of the quark matter at finite quark chemical potential $(\mu)$ and temperature $(T)$, employing the Green-Kubo formula, for the SU(2) light-flavor sector with the finite current-quark mass…
We have performed quantum molecular dynamics simulations for dense helium to study the nonmetal-to-metal transition at high pressures. We present new results for the equation of state and the Hugoniot curve in the warm dense matter region.…
We investigate heat transport in a spin-1/2 Heisenberg chain, coupled locally to independent thermal baths of different temperature. The analysis is carried out within the framework of the theory of open systems by means of appropriate…
A finite Green-Kubo thermal conductivity in a one-dimensional momentum conserving system was reported recently by Garrido et al [Phys. Rev. Lett., vol. 86, 5486 (2001)]. We first comment on the apparent contradiction with an earlier result…
In this work, we use a combination of first-principles calculations under the density functional theory framework and heat transport simulations using the atomistic Green's function (AGF) method to quantitatively predict the contribution of…
Recently we have introduced the microscopic response method (MRM) to compute the conductivity and Hall mobility for complex system with topological and thermal disorder, which is more convenient than the Kubo formula. We prove that for a…
The complex-time method for quantum tunneling is studied. In one-dimensional quantum mechanics, we construct a reduction formula for a Green function in the number of turning points based on the WKB approximation. This formula yields a…
Precision soil greenhouse gas (GHG) flux prediction is essential in agricultural systems for assessing environmental impacts, developing emission mitigation strategies and promoting sustainable agriculture. Due to the lack of advanced…
We report on an extensive study of the viscosity of liquid water at near-ambient conditions, performed within the Green-Kubo theory of linear response and equilibrium ab initio molecular dynamics (AIMD), based on density-functional theory…
Quantum physics predicts that there is a fundamental maximum heat conductance across a single transport channel, and that this thermal conductance quantum $G_Q$ is universal, independent of the type of particles carrying the heat. Such…
Understanding heat transport in semiconductors and insulators is of fundamental importance because of its technological impact in electronics and renewable energy harvesting and conversion. Anharmonic Lattice Dynamics provides a powerful…
Heat transport in glasses across a wide range of temperature is vital for applications in gate dielectrics and heat insulator. However, it remains poorly understood due to the challenges of modeling vibrational anharmonicity below glass…
This work introduces an approach rooted in quantum thermodynamics to enhance sampling efficiency in quantum machine learning (QML). We propose conceptualizing quantum supervised learning as a thermodynamic cooling process. Building on this…
In molecular dynamics, transport coefficients measure the sensitivity of the invariant probability measure of the stochastic dynamics at hand with respect to some perturbation. They are typically computed using either the linear response of…