3 papers
cs.DC2026
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…
cond-mat.supr-con2026
Machine-learning Guided Search for Phonon-mediated Superconductivity in Boron and Carbon Compounds
Niraj K. Nepal, Lin-Lin Wang
We present a workflow that iteratively combines \textit{ab-initio} calculations with a machine-learning (ML) guided search for superconducting compounds with both dynamical stabili…
cond-mat.mtrl-sci2025
Design and Predict Tetragonal van der Waals Layered Quantum Materials of MPdI (M=Ga, In and 3 Transition Metals)
Niraj K. Nepal, Tyler J. Slade, Joanna M. Blawat +8
Quantum materials with stacked van der Waals (vdW) layers hosting non-trivial band structure topology and magnetism have shown many interesting properties. Using high throughput de…