158 citations · 217 across the 11 of their papers we have counts for
11 papers
Information-Theoretic Multi-Model Fusion for Target-Oriented Adaptive Sampling in Materials Design
Yixuan Zhang, Zhiyuan Li, Weijia He +4
Target-oriented discovery under limited evaluation budgets requires making reliable progress in high-dimensional, heterogeneous design spaces where each new measurement is costly,…
Stable diffusion for the inverse design of microstructures
Yixuan Zhang, Teng Long, Hongbin Zhang
In materials science, microstructures and their associated extrinsic properties are critical for engineering advanced structural and functional materials, yet their robust reconstr…
Generative deep learning for the inverse design of materials
Teng Long, Yixuan Zhang, Hongbin Zhang
In addition to the forward inference of materials properties using machine learning, generative deep learning techniques applied on materials science allow the inverse design of ma…
Accelerated Screening of Ternary Chalcogenides for High-Performance Optoelectronic Materials
Chen Shen, Tianshu Li, Yixuan Zhang +7
Chalcogenides, which refer to chalcogen anions, have attracted considerable attention in multiple fields of applications, such as optoelectronics, thermoelectrics, transparent cont…
Autonomous atomic Hamiltonian construction and active sampling of x-ray absorption spectroscopy by adversarial Bayesian optimization
Yixuan Zhang, Ruiwen Xie, Teng Long +4
X-ray absorption spectroscopy (XAS) is a well-established method for in-depth characterization of the electronic structure due to its sensitivity to the local coordination and elec…
Anomalously low thermal conductivity of two-dimensional GaP monolayers: A comparative study of the group GaX (X = N, P, As)
Chen Shen, Niloofar Hadaeghi, Harish K. Singh +4
With the successful synthesis of the two-dimensional (2D) gallium nitride (GaN) in a planar honeycomb structure, the phonon transport properties of 2D GaN have been reported. Howev…
Enhanced anomalous Nernst effects in ferromagnetic materials driven by Weyl nodes
Ilias Samathrakis, Teng Long, Zeying Zhang +2
Based on high-throughput first-principles calculations, we evaluated the anomalous Hall and anomalous Nernst conductivities of 266 transition-metal-based ferromagnetic compounds. D…
Inverse design of crystal structures for multicomponent systems
Teng Long, Yixuan Zhang, Nuno M. Fortunato +3
We developed an inverse design framework enabling automated generation of stable multi-component crystal structures by optimizing the formation energies in the latent space based o…
Thermal conductivity of h-BN monolayers using machine learning interatomic potential
Yixuan Zhang, Chen Shen, Teng Long +1
Thermal management materials are of critical importance for engineering miniaturized electronic devices, where theoretical design of such materials demands the evaluation of therma…
Constrained crystals deep convolutional generative adversarial network for the inverse design of crystal structures
Teng Long, Nuno M. Fortunato, Ingo Opahle +5
Autonomous materials discovery with desired properties is one of the ultimate goals for materials science, and the current studies have been focusing mostly on high-throughput scre…
An accelerating approach of designing ferromagnetic materials via machine learning modeling of magnetic ground state and Curie temperature
T. Long, N. M. Fortunato, Yixuan Zhang +2
Magnetic materials have a plethora of applications ranging from informatics to energy harvesting and conversion. However, such functionalities are limited by the magnetic ordering…