84 citations · 182 across the 10 of their papers we have counts for
10 papers
A Precision Emulation Approach to the GPU Acceleration of Ab Initio Electronic Structure Calculations
Hang Liu, Junjie Li, Yinzhi Wang +2
This study explores the use of INT8-based emulation for accelerating traditional FP64-based HPC workloads on modern GPU architectures. Through SCILIB-Accel automatic BLAS offload t…
An investigation of high entropy alloy conductivity using first-principles calculations
Vishnu Raghuraman, Yang Wang, Michael Widom
The Kubo-Greenwood equation, in combination with the first-principles Korringa-Kohn-Rostoker Coherent Potential Approximation (KKR-CPA) can be used to calculate the DC residual res…
Monte Carlo simulation of order-disorder transition in refractory high entropy alloys: a data-driven approach
Xianglin Liu, Jiaxin Zhang, Junqi Yin +3
High entropy alloys (HEAs) are a series of novel materials that demonstrate many exceptional mechanical properties. To understand the origin of these attractive properties, it is i…
An averaged cluster approach to including chemical short range order in KKR-CPA
Vishnu Raghuraman, Yang Wang, Michael Widom
The single-site Korringa-Kohn-Rostoker Coherent Potential Approximation (KKR-CPA) ignores short range ordering present in disordered metallic systems. In this paper, we establish a…
Machine Learning the Effective Hamiltonian in High Entropy Alloys
Xianglin Liu, Jiaxin Zhang, Markus Eisenbach +1
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 effectiv…
Chemical complexity in high entropy alloys: A pair-interaction perspective
Xianglin Liu, Jiaxin Zhang, Sirui Bi +3
The recently proposed pair-interaction model is applied to study a series of refractory high entropy alloys. The results demonstrate the simplicity, robustness, and high accuracy o…