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20192026
most citedElectron-Electron Interactions in Device Simulation via Non-equilibrium Green's Functions and the GW Approximation

6 citations · 33 across the 24 of their papers we have counts for

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Showing 2026Show all

7 papers · 1 filter

cond-mat.mtrl-sci2026

Ab initio Modeling of MoS2/Oxide Device Interfaces with Machine Learned Electronic Structures

Manasa Kaniselvan, Mauro Dossena, Denghui Lu +4

We introduce a new ab initio approach to simulate semiconductor devices that integrates scalable machine-learned (ML) electronic structure models with an advanced quantum transport…

cs.LG2026

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…

cs.CE2026

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…

cs.DC2026

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…

cs.DC2026

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…

cond-mat.mtrl-sci2026

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…

cs.DC2026

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…