Related papers: Molecular Electronics: From Physics to Computing
Devices for nano- and molecular size electronics are currently a focus of research aimed at an efficient current rectification and switching. A few generic molecular scale devices are reviewed here on the basis of first-principles and model…
Molecular quantum chemistry has seen enormous progress in the last few decades thanks to the more advanced and sophisticated numerical techniques and computing power. Following the recent interest in extending these capabilities to…
Despite numerous advances in the field and a seemingly ever-increasing amount of investment, we are still some years away from seeing a production quantum computer in action. However, it is possible to make some educated guesses about the…
I assess the potential of quantum computation. Broad and important applications must be found to justify construction of a quantum computer; I review some of the known quantum algorithms and consider the prospects for finding new ones.…
Quantum computers hold promise to improve the efficiency of quantum simulations of materials and to enable the investigation of systems and properties more complex than tractable at present on classical architectures. Here, we discuss…
Over the past two decades the field of computational science and engineering (CSE) has penetrated both basic and applied research in academia, industry, and laboratories to advance discovery, optimize systems, support decision-makers, and…
An intense effort is being made today to build a quantum computer. Instead of presenting what has been achieved, I invoke here analogies from the history of science in an attempt to glimpse what the future might hold. Quantum computing is…
Quantum computers have been proposed to solve a number of important problems such as discovering new drugs, new catalysts for fertilizer production, breaking encryption protocols, optimizing financial portfolios, or implementing new…
Quantum computing is an emerging technology with potentially far-reaching implications for national prosperity and security. Understanding the timeframes over which economic benefits and national security risks may manifest themselves is…
The phenomenal success of physics in explaining nature and designing hardware is predicated on efficient computational models. A universal codebook of physical laws defines the computational rules and a physical system is an interacting…
The physics of the glass transition and amorphous materials continues to attract the attention of a wide research community after decades of effort. Supercooled liquids and glasses have been studied numerically since the advent of molecular…
Quantum computing offers a powerful new paradigm of information processing that has the potential to transform a wide range of industries. In the pursuit of the tantalizing promises of a universal quantum computer, a multitude of new…
With traditional computing technologies reaching their limit, a new field has emerged seeking to follow the example of the human brain into a new era: neuromorphic computing. This paper provides an introduction to neuromorphic computing,…
Theoretical concepts in condensed matter physics are typically verified and also developed by exploiting computer simulations mostly in simple models. Predictions based on these usually isotropic models are often at odds with measurement…
Many people think of analog computing as a historic dead-end in computing. In fact, nothing could be further from the truth as analog computing - together with quantum computing - has the potential to bring computing to new levels with…
It has been 5 years since the Computing Community Consortium (CCC) Workshop on Next Steps in Quantum Computing, and significant progress has been made in closing the gap between useful quantum algorithms and quantum hardware. Yet much…
Numerical simulation of quantum systems is crucial to further our understanding of natural phenomena. Many systems of key interest and importance, in areas such as superconducting materials and quantum chemistry, are thought to be described…
In recent years, there has been tremendous progress in the development of quantum computing hardware, algorithms and services leading to the expectation that in the near future quantum computers will be capable of performing simulations for…
Machine learning methods have revolutionized the discovery process of new molecules and materials. However, the intensive training process of neural networks for molecules with ever-increasing complexity has resulted in exponential growth…
Machine Learning tools are nowadays widely applied extensively to the prediction of the properties of molecular materials, using datasets extracted from high-throughput computational models. In several cases of scientific and technological…