Related papers: Molecular Electronics: From Physics to Computing
A new concept of the molecular structure optimization method based on quantum dynamics computations is presented. Nuclei are treated as quantum mechanical particles, as are electrons, and the many-body wave function of the system is…
Molecular communication (MC) is a kind of communication technology based on biochemical molecules for internet of bio-nano things, in which the biochemical molecule is used as the information carrier for the interconnection of nano-devices.…
In the "Beyond Moore's Law" era, with increasing edge intelligence, domain-specific computing embracing unconventional approaches will become increasingly prevalent. At the same time, adopting a variety of nanotechnologies will offer…
Materials informatics is increasingly used to support modelling, analysis and design across the length scales of materials science, from atomistic simulations to microstructural characterisation and continuum descriptions. Despite rapid…
Electron transmission through molecules and molecular interfaces has been a subject of intensive research due to recent interest in electron transfer phenomena underlying the operation of the scanning tunneling microscope (STM) on one hand,…
The conventional approach of moving data to the CPU for computation has become a significant performance bottleneck for emerging scale-out data-intensive applications due to their limited data reuse. At the same time, the advancement in 3D…
Quantum computing is changing the way we think about computing. Significant strides in research and development for managing and harnessing the power of quantum systems has been made in recent years, demonstrating the potential for…
Atomistic simulations based on the first-principles of quantum mechanics are reaching unprecedented length scales. This progress is due to the growth in computational power allied with the development of new methodologies that allow the…
Despite significant progress in synthesizing several new molecules and many promising single device demonstrations, wide range acceptance of molecular electronics as an alternative to CMOS technology has been stalled not only by…
The high energy consumption of electronic data processors, together with physical challenges limiting their further improvement, has triggered intensive interest in alternative computation paradigms. Here we focus on network-based…
The last two decades have seen an explosive growth in the theory and practice of both quantum computing and machine learning. Modern machine learning systems process huge volumes of data and demand massive computational power. As silicon…
With the rapid development of quantum technology, one of the leading applications is the simulation of chemistry. Interestingly, even before full scale quantum computers are available, quantum computer science has exhibited a remarkable…
Molecular biology is a nanotechnology that works--it has worked for billions of years and in an amazing variety of circumstances. At its core is a system for acquiring, processing and communicating information that is universal, from…
Advantages of quantum effects in several technologies, such as computation and communication, have already been well appreciated, and some devices, such as quantum computers and communication links, exhibiting superiority to their classical…
The combination of modern scientific computing with electronic structure theory can lead to an unprecedented amount of data amenable to intelligent data analysis for the identification of meaningful, novel, and predictive structure-property…
Classical computing is beginning to encounter fundamental limits of energy efficiency. This presents a challenge that can no longer be solved by strategies such as increasing circuit density or refining standard semiconductor processes. The…
Technologies operating on the basis of quantum mechanical laws and resources such as phase coherence and entanglement are expected to revolutionize our future. Quantum technologies are often divided into four main pillars: computing,…
In a data-driven economy, virtually all industries benefit from advances in information technology -- powerful computing systems are critically important for rapid technological progress. However, this progress might be at risk of slowing…
High-fidelity numerical methods that model the physical layout of a device are essential for the design of many technologies. For methods that characterize electromagnetic effects, these numerical methods are referred to as computational…
Molecular simulations provide a powerful means to unravel the complex relationships between network architecture and the mechanical response of polymer networks, with a particular emphasis on rupture and fracture phenomena. Although…