相关论文: Physics-based Simulation Models for EBSD: Advances…

The structural control of silicon nanocrystals is an important technological problem. Typically a distribution of nanocrystal sizes and shapes emerges under the uncontrolled aggregation of smaller clusters. The aim of this computational…

Modeling and simulation (M&S) has revolutionized the way modern engineered products are designed, tested and evaluated. Yet modeling and simulation is much less frequently applied in the study of natural biological and active matter…

The rapidly evolving field of engineering design of functional surfaces necessitates sophisticated tools to manage the inherent complexity of high-dimensional design spaces. This survey paper offers a scoping review, i.e., a literature…

Design of robots at the small scale is a trial-and-error based process, which is costly and time-consuming. There are few dynamic simulation tools available to accurately predict the motion or performance of untethered microrobots as they…

Molecular dynamics (MD) simulations and computer-aided drug design (CADD) have advanced substantially over the past two decades, thanks to continuous computer hardware and software improvements. Given these advancements, MD simulations are…

Machine learning force fields possess unprecedented potential in achieving both accuracy and efficiency in molecular simulations. Nevertheless, their application in organic systems is often hindered by structural collapse during simulation…

Scanning transmission electron microscopy is a common tool used to study the atomic structure of materials. It is an inherently multimodal tool allowing for the simultaneous acquisition of multiple information channels. Despite its…

The emergence of multicellularity and developmental programs are among the major problems of evolutionary biology. Traditionally, research in this area has been based on the combination of data analysis and experimental work on one hand and…

So far, performance prediction and optimization of microwave SQUID multiplexers has largely been based on simple approximate analytical models and experimental results. This is caused by the complexity of the underlying physics and the…

Scanning transmission electron microscopy (STEM) has advanced rapidly in the last decade thanks to the ability to correct the major aberrations of the probe forming lens. Now atomic-sized beams are routine, even at accelerating voltages as…

In this paper we present Simgrid, a toolkit for the versatile simulation of large scale distributed systems, whose development effort has been sustained for the last fifteen years. Over this time period SimGrid has evolved from a…

Embeddings are ubiquitous in machine learning, appearing in recommender systems, NLP, and many other applications. Researchers and developers often need to explore the properties of a specific embedding, and one way to analyze embeddings is…

In this work we show that macroscopic experiments can be used to investigate microscopic systems. Such macroscopic experiments enable testing the assumptions and results obtained by theoretical considerations or simulations that can not be…

We present the development of extended diffraction tomography, a new approach to the solution of the linear seismic waveform inversion problem. This method has several appealing features, such as the use of arbitrary depth-dependent…

Electron beam-induced current (EBIC) imaging in the scanning transmission electron microscope (STEM), STEM-EBIC, provides direct access to carrier transport at the nanoscale. While well established in bulk SEM geometries, its application to…

In spite of the utility of 3-D electron back-scattered diffraction (EBSD) microscopy, the data collection process can be time-consuming with serial-sectioning. Hence, it is natural to look at other modalities, such as polarized light (PL)…

The electron microscope has been a powerful, highly versatile workhorse in the fields of material and surface science, micro and nanotechnology, biology and geology, for nearly 80 years. The advent of two-dimensional materials opens new…

The complexity of biological systems and processes, spanning molecular to macroscopic scales, necessitates the use of multiscale simulations to get a comprehensive understanding. Quantum mechanics/molecular mechanics (QM/MM) molecular…

Modeling and simulation of complex systems is key to explore systems dynamics. Many scientific approaches were developed to represent dynamic structure systems but most of these approaches are efficient for some kinds of systems and…

Evaluation of basic integrals over Gaussian functions, traditionally utilized for electronic structure computations on molecules and solids, is discussed in a pedagogical form.