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20242026
most citedElectron-Electron Interactions in Device Simulation via Non-equilibrium Green's Functions and the GW Approximation

6 citations · 10 across the 11 of their papers we have counts for

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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…

quant-ph2026

Simulation of exchange coupling effects in double quantum dot FinFET-like structures

Ilan Bouquet, Alexander Maeder, Mathieu Luisier

By leveraging a GPU-accelerated Schrödinger-Poisson (SP) solver, we characterize exchange coupling in a hole spin double-qubit device involving a double quantum dot (DQD) system fo…

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…

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…