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In recent years, graph neural network (GNN) based approaches have emerged as a powerful technique to encode complex topological structure of crystal materials in an enriched representation space. These models are often supervised in nature…
Subsampled natural gradient descent (SNG) has been used to enable high-precision scientific machine learning, but standard analyses based on stochastic preconditioning fail to provide insight into realistic small-sample settings. We…
The standing wave model describes the well-known phenomenon of superconductivity in a new way [1]. Starting from a new definition of superconductivity, a microscopic London relation is derived from first principles. The relation between the…
On a microscopic scale, resistivity during electric conduction is caused by collisions of the free conduction electrons with the obstructing atoms or molecules of the conductor material, resulting in heat production. Based on this…
Dataset distillation aims to compress information from a large-scale original dataset to a new compact dataset while striving to preserve the utmost degree of the original data informational essence. Previous studies have predominantly…
The expansiveness of compositional phase space is too vast to fully search using current theoretical tools for many emergent problems in condensed matter physics. The reliance on a deep chemical understanding is one method to identify local…
Transition-metal dichalcogenides open novel opportunities for the exploration of exciting new physics and devices. As a representative system, 2H-MoS$_2$ has been extensively investigated owing to its unique band structure with a large band…
At this centenary of the discovery of superconductivity, the design of new and more useful superconductors remains as enigmatic as ever. These materials play crucial roles both for fundamental science and applications, and they hold great…
Two-dimensional (2D) transition-metal dichalcogenide (TMDs) MoTe2 has attracted much attention due to its predicted Weyl semimetal (WSM) state and a quantum spin Hall insulator in bulk and monolayer form, respectively. We find that the…
Superfluids and superconductors are ordinary matter that show a very surprising behavior at low temperatures. As their temperature is reduced, materials of both kinds can abruptly fall into a state in which they will support a persistent,…
We discover many new crystalline solid materials with fast single crystal Li ion conductivity at room temperature, discovered through density functional theory simulations guided by machine learning-based methods. The discovery of new solid…
Deep convolutional neural networks (DCNN) have enjoyed great successes in many signal processing applications because they can learn complex, non-linear causal relationships from input to output. In this light, DCNNs are well suited for the…
Although there is no complete theory of high temperature superconductivity, the importance of CuO$_2$ planes in cuprate superconductors is confirmed from both theory and experiments. Strong Coulomb repulsion between electrons on the CuO$_2$…
Predicting the stability of crystals is one of the central problems in materials science. Today, density functional theory (DFT) calculations are the computational tool of choice to obtain energies of crystals with quantitative accuracy.…
Superionic conductors offer unique advantages for novel technological devices in various fields, such as energy storage and neuromorphic computing. Above 414 K, Cu2Se turns into a well-known superionic conductor via a phase transition, and…
Machine learning has revolutionized materials discovery, but data scarcity remains a critical bottleneck for complex functional properties. As emerging systems, two-dimensional (2D) materials possess limited overall data volumes. Evaluating…
Network science provides very powerful tools for extracting information from interacting data. Although recently the unsupervised detection of phases of matter using machine learning has raised significant interest, the full prediction…
The discovery of high-temperature superconducting materials holds great significance for human industry and daily life. In recent years, research on predicting superconducting transition temperatures using artificial intelligence~(AI) has…
Neuromorphic computing aims to reproduce the energy efficiency and adaptability of biological intelligence in hardware. Superconducting devices are an attractive platform due to their ultra-low dissipation and fast switching dynamics. Here…
Here we report the discovery of superconductivity in multiple phases of the compressed GeSb2Te4 (GST) phase change memory alloy, which has attracted considerable attention for the last decade due to its unusual physical properties with many…