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Lawrence Berkeley National Laboratory

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Preprint Sep 2026

High-Temperature ferromagnetism from site-selective filling in (Fe,Ni)$_{6-\delta}$GeTe$_2$

The discovery of high-temperature ferromagnetism in the metallic van der Waals (vdW) system Fe$_N$GeTe$_2$ has brought two-dimensional (2D) magnets into technologically relevant temperature scales. Specifically at N = 5, dilution of magnetic moments by nickel substitution counterintuitively achieves a record high Curie...

T. Werner, Jonathan T. Reichanadter, Xiang Chen et al. · 0 citations
Jul 2026

Examining QRMI as a Unified Interface for Quantum-HPC Integration

This paper extends the validation of QRMI to a broad range of workload managers, including PBS, LSF, Grid Engine, Kubernetes, and the Flux Framework, encompassing traditional batch schedulers, a cloud-native orchestration platform, and a graph-based scheduler.

Thomas Badts, T. Boyle, Claudio Carvalho et al. · 4 citations
#small language model Preprint Aug 2026

uMOF: A Universal Database, Benchmark, and Machine Learning Interatomic Potentials for Metal-Organic Frameworks

Foundation machine learning interatomic potentials (MLIPs) deliver near-ab-initio accuracy at a fraction of the computational cost, yet their promise for Metal-organic Frameworks (MOFs) remains largely unrealized as large unit cells make first-principles training data expensive to generate, fine-tuned models are scarce...

T. J. Inizan, Prathami Divakar Kamath, Alin M. Elena et al. · 0 citations

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