Related papers: Machine learning modeling of superconducting criti…
We investigated the accelerated prediction of the thermal conductivity of materials through end- to-end structure-based approaches employing machine learning methods. Due to the non-availability of high-quality thermal conductivity data, we…
Traditional materials discovery approaches - relying primarily on laborious experiments - have controlled the pace of technology. Instead, computational approaches offer an accelerated path: high-throughput exploration and characterization…
We present an ensemble machine-learning approach for composition-based, structure-agnostic screening of candidate superconductors among ternary hydrides under high pressure. Hydrogen-rich hydrides are known to exhibit high superconducting…
Recent experimental discoveries show that hydrogen-rich compounds can reach room temperature superconductivity, at least at high pressures. Also that there exist metallic hydrogen-abundant systems with critical temperatures of few Kelvin,…
The discovery of novel superconducting materials is a longstanding challenge in materials science, with a wealth of potential for applications in energy, transportation, and computing. Recent advances in artificial intelligence (AI) have…
Reasonably good agreement with the superconducting transition temperatures of the cuprate high-Tc superconductors can be obtained on the basis of an approximate phenomenological theory. In this theory, two criteria are used to calculate the…
The high temperature superconductivity in cuprate materials1 has puzzled scientists over twenty years. We must find a new way to understand superconductivity. It is found the spin-charge correlation may dominate the superconductivity2, and…
By taking advantage of a stability criterion established recently, the critical temperature $T_c$ is reckoned with help of the microscopic parameters, characterising the normal and superconducting electrons, namely the independent-electron…
By using band structure calculations of quantum mechanical theory, some important peaks of DoS (Density of States) were obtained and classified based on crystal structure laws of cuprate superconductivity. In particular, the orbital…
Recently a relationship between the Debye temperature $\Theta_D$ and the superconducting transition temperature $T_c$ of conventional superconductors has been proposed [npj Quantum Materials $\mathbf{3}$, 59 (2018)]. The relationship…
Predicting the transition temperature, Tc, of a superconductor from Periodic Table normal state properties is regarded as one of the grand challenges of superconductivity. By studying the correlations of Periodic Table properties with known…
The discovery of new superconducting materials, particularly those exhibiting high critical temperature ($T_c$), has been a vibrant area of study within the field of condensed matter physics. Conventional approaches primarily rely on…
A supervised machine learning (ML) based computational methodology for the design of particulate multifunctional composite materials with desired thermal conductivity (TC) is presented. The design variables are physical descriptors of the…
First-principles based modeling on phonon dynamics and transport using density functional theory and Boltzmann transport equation has proven powerful in predicting thermal conductivity of crystalline materials, but it remains unfeasible for…
Thermoelectric materials can be used to construct devices which recycle waste heat into electricity. However, the best known thermoelectrics are based on rare, expensive or even toxic elements, which limits their widespread adoption. To…
Hydrides are considered to be one of the most promising families of compounds for achieving high temperature superconductivity. However, there are very few experimental reports of ambient-pressure hydride superconductivity, and the…
The theoretical exploration of the phase diagrams of binary hydrides under pressure using \emph{ab initio} crystal structure prediction techniques coupled with first-principles calculations has led to the \emph{in silico} discovery of…
The search for new superconducting compounds with higher critical temperatures $T_{c}^{\prime}$s has long been the very heart of scientific research on superconductivity. It took 75 years for scientists to push the $T_{c}$ above liquid…
Although the microscopic origin of the superconductivity in high Tc copper oxides remains the subject of active inquiry, several of their electronic characteristics are well established as universal to all the known materials, forming the…
We survey the landscape of binary hydrides across the entire periodic table from 10 to 500 GPa using a crystal structure prediction method. Building a critical temperature ($T_c$) model, with inputs arising from density of states…