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The present level of development of molecular force field methods is assessed from the point of view of simulation-based engineering, outlining the immediate perspective for further development and highlighting the newly emerging discipline…
Computational multiscale modeling encompasses a wide range of end-products and a great number of technological applications. This paper provides an overview of the computational multiscale modeling approach based on the utilization of MBN…
New generation in vitro high-throughput screening (HTS) assays for the assessment of engineered nanomaterials provide an opportunity to learn how these particles interact at the cellular level, particularly in relation to injury pathways.…
Laser material processing has emerged as a versatile and indispensable tool in various industries, including manufacturing, healthcare, and materials science. However, the interaction of a lasers with surfaces is highly dependent on a large…
Data-driven approaches are particularly useful for computational materials discovery and design as they can be used for rapidly screening over a very large number of materials, thus suggesting lead candidates for further in-depth…
A major public health issue is the growing resistance of bacteria to antibiotics. An important part of the needed response is the discovery and development of new antimicrobial strategies. These require the screening of potential new drugs,…
Artificial intelligence is gaining strength and materials science can both contribute to and profit from it. In a simultaneous progress race, new materials, systems and processes can be devised and optimized thanks to machine learning…
Current condensed matter research is centered on advanced materials and their distinctive features. The interest in Quantum materials (QMs) continues to increase without any decrease due to their novel phenomenon and potential as platforms…
Heterogeneous computing is widely used at all levels of computing from data center to edge due to its power/performance characteristics. However, heterogeneity presents challenges. Interoperability---the management of workloads across…
Heterogeneous object design is an active research area in recent years. The conventional CAD modeling approaches only provide geometry and topology of the object, but do not contain any information with regard to the materials of the object…
High-throughput data generation methods and machine learning (ML) algorithms have given rise to a new era of computational materials science by learning relationships among composition, structure, and properties and by exploiting such…
Mammography is a vital screening technique for early revealing and identification of breast cancer in order to assist to decrease mortality rate. Practical applications of mammograms are not limited to breast cancer revealing,…
The exotic properties of two-dimensional (2D) materials and 2D heterostructures, built by forming heterogeneous multi-layered stacks, have been widely explored across a number of subject matters following the goal to invent, design, and…
High Power Target systems are key elements in future neutrino and other rare particle production in accelerators. These systems transform an intense source of protons into secondary particles of interest to enable new scientific…
Recent advances in photonic optimization have enabled calculation of performance bounds for a wide range of electromagnetic objectives, albeit restricted to single-material systems. Motivated by growing theoretical interest and fabrication…
This paper presents a comprehensive survey of computational imaging (CI) techniques and their transformative impact on computer vision (CV) applications. Conventional imaging methods often fail to deliver high-fidelity visual data in…
Traditional simulations on High-Performance Computing (HPC) systems typically involve modeling very large domains and/or very complex equations. HPC systems allow running large models, but limits in performance increase that have become…
Laser cutting is a widely adopted technology in material processing across various industries, but it generates a significant amount of dust, smoke, and aerosols during operation, posing a risk to both the environment and workers' health.…
Specialized computational chemistry packages have permanently reshaped the landscape of chemical and materials science by providing tools to support and guide experimental efforts and for the prediction of atomistic and electronic…
Quality is one of the important things to be maintained in a weaving industry. Along with the times, technological developments in the field of image processing and computing have changed the old method of visual evaluation of woven fabric…