Related papers: SiC-TGAP: A machine learning interatomic potential…
In spite of its great promises for energy efficient power conversion, the electronic quality of cubic silicon carbide (3C-SiC) on silicon is currently limited by the presence of a variety of extended defects in the heteroepitaxial material.…
Silicon-based fast time detectors have been widely used in high energy physics, nuclear physics, space exploration and other fields in recent years. However, silicon detectors often require complex low-temperature systems when operating in…
In this article, we have theoretically studied the time averaged adiabatic potential (TAAP) scheme for realizing different atom trapping geometries. It is shown that by varying time orbiting potential (TOP) fields and radio frequency (rf)…
High-energy nuclear collisions encompass three key stages: the structure of the colliding nuclei informed by low-energy nuclear physics, the initial condition (IC) leading to the formation of quark-gluon plasma (QGP), and the hydrodynamic…
Silicon exhibits several metastable allotropes which recently attracted attention in the quest for materials with superior (e.g. optical) properties, compatible with Si technology. In this work we shed light on the atomic-scale mechanisms…
Material characterization in nano-mechanical tests requires precise interatomic potentials for the computation of atomic energies and forces with near-quantum accuracy. For such purposes, we develop a robust neural-network interatomic…
We suggest to explore an entirely new method to experimentally and theoretically study the phase diagram of strongly interacting matter based on the triple nuclear collisions (TNC). We simulated the TNC using the UrQMD 3.4 model at the beam…
We develop an electronic-temperature dependent interatomic potential $\Phi (T_\text{e})$ for unexcited and laser-excited silicon. The potential is designed to reproduce ab initio molecular dynamics simulations by requiring force- and energy…
Probing the ideal limit of interfacial thermal conductance (ITC) in two-dimensional (2D) heterointerfaces is of paramount importance for assessing heat dissipation in 2D-based nanoelectronics. Using graphene/hexagonal boron nitride…
Phase change materials such as Ge$_{2}$Sb$_{2}$Te$_{5}$ (GST) are ideal candidates for next-generation, non-volatile, solid-state memory due to the ability to retain binary data in the amorphous and crystal phases, and rapidly transition…
A transferable tight-binding potential has been constructed for heteroatomic systems containing carbon and hydrogen. The electronic degree of freedom is treated explicitly in this potential using a small set of transferable parameters which…
A central pursuit in theoretical chemistry is the accurate simulation of photochemical reactions, which are governed by nonadiabatic transitions through conical intersections. Machine learning has emerged as a transformative tool for…
In this literature review we investigate the permittivity, density-of-state mass, band gap, impact ionization, charge carrier recombination, incomplete ionization and mobility in 4H silicon carbide. We provide a comprehensive overview over…
We present a new interatomic potential for solids and liquids called Spectral Neighbor Analysis Potential (SNAP). The SNAP potential has a very general form and uses machine-learning techniques to reproduce the energies, forces, and stress…
Information about the nature of the low-temperature anomalies and in particular the properties of the tunneling systems in silica and lithium silica glasses are revealed via computer simulations. The potential energy landscape of these…
Hybrid spin-mechanical systems provide a platform for integrating quantum registers and transducers. Efficient creation and control of such systems require a comprehensive understanding of the individual spin and mechanical components as…
We present the development and applications of a quadratic Spectral Neighbor Analysis Potential (q-SNAP) for ferromagnetic cobalt. Trained on Density Functional Theory calculations using the Perdew-Burke-Ernzerhof (DFT-PBE) functional, this…
As a competitive recovery method for heavy oil, In-Situ Combustion (ISC) shows its great potential accompanied by technological advances in recent years. Reservoir simulation will play an indispensable role in the prediction of the…
We first outline the Standard Model (SM) of particle physics, particle production and decay, and the expected signal and background at a Higgs factory like the International Linear Collider (ILC). We then introduce high energy colliders and…
We study the deposition of tetrahedral amorphous carbon (ta-C) films from molecular dynamics simulations based on a machine-learned interatomic potential trained from density-functional theory data. For the first time, the high $sp^3$…