Related papers: Million Atom Electronic Structure and Device Calcu…
The continuous scaling of semiconductor-based technologies to micron and sub-micron regimes has resulted in higher device density and lower power dissipation. Many physical phenomena such as self-heating or current leakage become…
We present the capabilities and results of the Parallel Edge-based Tool for Geophysical Electromagnetic modeling (PETGEM), as well as the physical and numerical foundations upon which it has been developed. PETGEM is an open-source and…
Three-dimensional electron diffraction (3D ED) has emerged as a powerful method for solving the structures of sub-micron-sized particles down to nanoparticles. However, it faces technical challenges when applied to beam-sensitive samples or…
Efficient design and performance of electrically actuated MEMS devices necessitate accurate estimation of electrostatic forces on the MEMS structures. This in turn requires thorough study of the capacitance of the structures and finally the…
A simple and robust method able to predict, with high accuracy, the optical properties of single and multi-layer nanostructures is presented. The method exploits a COMSOL Multiphysics simulation platform and it has been validated by three…
Designing molecular organic semiconductors with distinct frontier orbitals is key for the development of devices with desirable properties. Generating defined organic nanostructures with atomic precision can be accomplished by on-surface…
To improve transistor density and electronic performance, next-generation semiconductor devices are adopting three-dimensional architectures and feature sizes down to the few-nm regime, which require atomic-scale metrology to identify and…
A previously developed quantum reduced-order model is revised and applied, together with the domain decomposition, to develop the quantum element method (QEM), a methodology for fast and accurate simulation of quantum eigenvalue problems.…
Characterizing long-range electric fields and built-in potentials in functional materials at nano- to micrometer scales is of supreme importance for optimizing devices. E.g., the functionality of semiconductor heterostructures or battery…
The 1+1D O(3) non-linear {\sigma}-model is a model system for future quantum lattice simulations of other asymptotically-free theories, such as non-Abelian gauge theories. We find that utilizing dimensional reduction can make efficient use…
The recent emergence of lead-halide perovskites as active layer materials for thin film semiconductor devices including solar cells, light emitting diodes, and memristors has motivated the development of several new drift-diffusion models…
We report a nanoscale device concept based on a highly doped $\delta$-layer tunnel junction embedded in a semiconductor for charge sensing. Recent advances in Atomic Precision Advanced Manufacturing (APAM) processes have enabled the…
Nonlinear frequency conversion unlocks technologies ranging from telecommunications to quantum computation; however, weak nonlinearities and architectures that resist miniaturization currently limit devices. Here, we combine a…
The increasing complexity and scale of photonic and electromagnetic devices demand efficient and accurate numerical solvers. In this work, we develop a parallel overlapping domain decomposition method (DDM) based on the finite-difference…
The semi-empirical pseudopotential method (SEPM) has been widely applied to provide computational insights into the electronic structure, photophysics, and charge carrier dynamics of nanoscale materials. We present "DeepPseudopot", a…
The pseudo-4D Doyle-Fuller-Newman (DFN) model enables predictive simulation of lithium-ion batteries with three-dimensional electrode architectures and particle-scale diffusion, extending the standard pseudo-2D (P2D) formulation to fully…
Computational methods that operate on three-dimensional molecular structure have the potential to solve important questions in biology and chemistry. In particular, deep neural networks have gained significant attention, but their…
The downscaling of silicon-based structures and proto-devices has now reached the single atom scale, representing an important milestone for the development of a silicon-based quantum computer. One especially notable platform for atomic…
I review the advancements of atomic scale nanoelectronics towards quantum neuromorphics. First, I summarize the key properties of elementary combinations of few neurons, namely long-- and short--term plasticity, spike-timing dependent…
In this paper, we propose an efficient parallelization strategy for boundary element method (BEM) solvers that perform the electromagnetic analysis of structures with lossy conductors. The proposed solver is accelerated with the adaptive…