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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…

cond-mat.mtrl-sci2025

Mechanisms of Resistive Switching in 2D Monolayer and Multilayer Materials

M. Kaniselvan, Y. R. Jeon, M. Mladenović +2

The power and energy consumption of resistive switching devices can be lowered by reducing their active layer dimensions. Efforts to push this low-energy switching property to its…

cond-mat.mtrl-sci2025

Termination-Dependent Resistive Switching in SrTiO Valence Change Memory Cells

Marko Mladenović, Manasa Kaniselvan, Christoph Weilenmann +2

Valence change memory (VCM) cells based on SrTiO (STO), a perovskite oxide, are a promising type of emerging memory device. While the operational principle of most VCM cells re…

cond-mat.mtrl-sci2025

Learning the Electronic Hamiltonian of Large Atomic Structures

Chen Hao Xia, Manasa Kaniselvan, Alexandros Nikolaos Ziogas +4

Graph neural networks (GNNs) have shown promise in learning the ground-state electronic properties of materials, subverting ab initio density functional theory (DFT) calculations w…

cond-mat.mtrl-sci2025

Electroforming Kinetics in HfOx/Ti RRAM: Mechanisms Behind Compositional and Thermal Engineering

Manasa Kaniselvan, Kevin Portner, Donato Francesco Falcone +6

A critical issue affecting filamentary resistive random access memory (RRAM) cells is the requirement of high voltages during electroforming. Reducing the magnitude of these voltag…