7 citations · 8 across the 7 of their papers we have counts for
9 papers
Discovery of novel magnetic Y-Mn-B compounds via advanced machine learning guided framework
Weiyi Xia, Wei Shen Tee, Maxim Moraru +2
Rare-earth transition-metal borides offer critical structural motifs for permanent-magnet design; however, the manganese-rich regions within these compositional phase spaces remain…
exa-PD: A scalable high-performance workflow for multi-element phase diagram construction
Zhuo Ye, Feng Zhang, Maxim Moraru +4
Exa-PD is a highly parallelizable workflow designed for the construction of multi-element phase diagrams (PDs). It uses standard sampling techniques, molecular dynamics (MD) and Mo…
exaPD: A highly parallelizable workflow for multi-element phase diagram (PD) construction
Feng Zhang, Zhuo Ye, Maxim Moraru +4
Phase diagrams (PDs) illustrate the relative stability of competing phases under varying conditions, serving as critical tools for synthesizing complex materials. Reliable phase di…
exa-AMD: An Exascale-Ready Framework for Accelerating the Discovery and Design of Functional Materials
Weiyi Xia, Maxim Moraru, Ying Wai Li +1
We present exa-AMD, an open-source, high-performance framework designed for accelerated materials discovery on modern supercomputers. exa-AMD overcomes key computational bottleneck…
Bridging Simulation and Silicon: A Study of RISC-V Hardware and FireSim Simulation
Atanu Barai, Kamalavasan Kamalakkannan, Patrick Diehl +6
RISC-V ISA-based processors have recently emerged as both powerful and energy-efficient computing platforms. The release of the MILK-V Pioneer marked a significant milestone as the…
From Legacy Fortran to Portable Kokkos: An Autonomous Agentic AI Workflow
Sparsh Gupta, Kamalavasan Kamalakkannan, Maxim Moraru +2
Scientific applications continue to rely on legacy Fortran codebases originally developed for homogeneous, CPU-based systems. As High-Performance Computing (HPC) shifts toward hete…
Accelerated discovery and design of Fe-Co-Zr magnets with tunable magnetic anisotropy through machine learning and parallel computing
Weiyi Xia, Maxim Moraru, Ying Wai Li +3
Rare earth (RE)-free permanent magnets, as alternative substitutes for RE-containing magnets for sustainable energy technologies and modern electronics, have attracted considerable…
exa-AMD: A Scalable Workflow for Accelerating AI-Assisted Materials Discovery and Design
Maxim Moraru, Weiyi Xia, Zhuo Ye +4
exa-AMD is a Python-based application designed to accelerate the discovery and design of functional materials by integrating AI/ML tools, materials databases, and quantum mechanica…
LLM Benchmarking with LLaMA2: Evaluating Code Development Performance Across Multiple Programming Languages
Patrick Diehl, Nojoud Nader, Maxim Moraru +1
The rapid evolution of large language models (LLMs) has opened new possibilities for automating various tasks in software development. This paper evaluates the capabilities of the…