13 papers
MALOQ: Massively Accelerated Learning of Operators for Quantum Transport
Manasa Kaniselvan, Alexander Maeder, Denghui Lu +2
Machine-learned (ML) operator models can be trained to predict density functional theory (DFT) Hamiltonian/density matrices at significantly reduced computational cost, thus extend…
Optimizing Semiconductor Device Simulations through Low-Precision Arithmetic
Alexander Maeder, Denghui Lu, Nicolas Vetsch +6
Architectural changes in GPUs, especially the promotion of low-precision computational units, pose significant challenges to traditional, FP64-based high-performance computing (HPC…
EmuGEMM: Fused Tensor Core Kernels for Precision Emulation in Matrix Multiplication
Denghui Lu, Alexander Maeder, Mathieu Luisier +1
Modern GPUs devote an increasing silicon budget to low-precision matrix-multiplication units, widening the precision-throughput gap for scientific computing workloads. Ozaki Scheme…
ADELIA: Automatic Differentiation for Efficient Laplace Inference Approximations
Afif Boudaoud, Lisa Gaedke-Merzhäuser, Alexandros Nikolaos Ziogas +6
Spatio-temporal Bayesian inference drives environmental and health sciences using latent Gaussian models. Integrated Nested Laplace Approximations (INLA) enable inference for these…
Acceleration of Atomistic NEGF: Algorithms, Parallelization, and Machine Learning
Mathieu Luisier, Nicolas Vetsch, Alexander Maeder +8
The Non-equilibrium Green's function (NEGF) formalism is a particularly powerful method to simulate the quantum transport properties of nanoscale devices such as transistors, photo…
Parallel Quadratic Selected Inversion in Quantum Transport Simulation
Vincent Maillou, Matthias Bollhofer, Olaf Schenk +2
Driven by Moore's Law, the dimensions of transistors have been pushed down to the nanometer scale. Advanced quantum transport (QT) solvers are required to accurately simulate such…