2 citations · 2 across the 14 of their papers we have counts for
4 papers · 1 filter
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…
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…
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…
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…