相关论文: Machine learning analysis of structural data to pr…

We present approaches to predict dynamic ditching loads on aircraft fuselages using machine learning. The employed learning procedure is structured into two parts, the reconstruction of the spatial loads using a convolutional autoencoder…

Spin waves are promising candidates to carry, transport, and process information. Controlling the propagation characteristics of spin waves in magnetic materials is an essential ingredient for designing spin-wave based computing…

We introduce DeepDFT, a deep learning model for predicting the electronic charge density around atoms, the fundamental variable in electronic structure simulations from which all ground state properties can be calculated. The model is…

We present a machine learning algorithm for the prediction of molecule properties inspired by ideas from density functional theory. Using Gaussian-type orbital functions, we create surrogate electronic densities of the molecule from which…

The landscape of condensed matter physics is facing an unprecedented data surge driven by high-throughput ab initio workflows and rapidly expanding experimental datasets. Traditional first-principles methods such as Density Functional…

When floating on a two-dimensional (2D) surface of superfluid $^{4}$He, electrons arrange themselves in 2D crystalline structure known as Wigner crystal. In channels, the boundaries interfere the crystalline order and in case of very narrow…

We study the magnetic phases of two coupled two-dimensional electron gases in order to determine under what circumstances these phases may occur in real semiconductor quantum wells and what the experimental properties of the broken-symmetry…

Large-scale atomistic calculations, using empirical potentials for modeling semiconductors, have been performed on a stressed system with linear surface defects like steps. Although the elastic limits of systems with surface defects remain…

Understanding the evolution of dislocation structures during plastic deformation is critical for predicting the mechanical performance of metallic materials. In this work, we applied in situ scanning electron microscopy/electron backscatter…

As humans we possess an intuitive ability for navigation which we master through years of practice; however existing approaches to model this trait for diverse tasks including monitoring pedestrian flow and detecting abnormal events have…

We propose improvements to the Artificial Neural Network (ANN) method of determining electron scattering cross-sections from swarm data proposed by coauthors. A limitation inherent to this problem, known as the inverse swarm problem, is the…

We present a novel methodology to compute relaxed dislocations core configurations, and their energies in crystalline metallic materials using large-scale \emph{ab-intio} simulations. The approach is based on MacroDFT, a coarse-grained…

Machine learning has enabled the prediction of quantum chemical properties with high accuracy and efficiency, allowing to bypass computationally costly ab initio calculations. Instead of training on a fixed set of properties, more recent…

This thesis investigates the magnetic, spectral, and transport properties of strongly correlated electronic systems, with a primary focus on the Hubbard model and its extensions relevant for real materials. Within the dynamical mean-field…

A simulation methodology for ultra-scaled InAs quantum well field effect transistors (QWFETs) is presented and used to provide design guidelines and a path to improve device performance. A multiscale modeling approach is adopted, where…

Atomic-scale variations in semiconductor heterostructures, arising from strain, interfaces, and compositional modulation, strongly influence electronic band dispersion but remain difficult to probe and compare using first-principles methods…

We propose a way to simulate mesoscopic transport processes with counter-propagating wavepackets of ultracold atoms in quasi one-dimensional (1D) waveguides, and show quantitative agreement with analytical results. The method allows the…

Here we demonstrate that the time-evolving interface observed during droplet formation, and consequently the resulting morphology nearing pinch-off, encode sufficient physical information for machine-learning (ML) frameworks to accurately…

Thin film processing by means of sputter deposition inherently depends on the interaction of energetic particles with a target surface and the subsequent particle transport. The length and time scales of the underlying physical phenomena…

We employ a descriptor based machine-learning approach to assess the effect of chemical alloying on formation-enthalpy of rare-earth intermetallics. Application of machine-learning approaches in rare-earth intermetallic design have been…