相关论文: Molecular Electronics: From Physics to Computing
The great promise of quantum computers comes with the dual challenges of building them and finding their useful applications. We argue that these two challenges should be considered together, by co-designing full-stack quantum computer…
Twenty-five years ago the desktop computer started becoming ubiquitous in the scientific lab. Researchers were delighted with its ability to both control instrumentation and acquire data on a single system, but they were not completely…
Power efficiency is becoming an ever more important metric for both high performance and high throughput computing. Over the course of next decade it is expected that flops/watt will be a major driver for the evolution of computer…
One of the most promising suggested applications of quantum computing is solving classically intractable chemistry problems. This may help to answer unresolved questions about phenomena like: high temperature superconductivity, solid-state…
Computer simulation plays a central role in modern day materials science. The utility of a given computational approach depends largely on the balance it provides between accuracy and computational cost. Molecular crystals are a class of…
Computational chemistry allows researchers to experiment in sillico: by running a computer simulations of a biological or chemical processes of interest. Molecular dynamics with molecular mechanics model of interactions simulates N-body…
During the past decades, quantum mechanical methods have undergone an amazing transition from pioneering investigations of experts into a wide range of practical applications, made by a vast community of researchers. First principles…
Deep learning is changing many areas in molecular physics, and it has shown great potential to deliver new solutions to challenging molecular modeling problems. Along with this trend arises the increasing demand of expressive and versatile…
Molecular machines may resolve three distinct bottlenecks of scientific advancement. Nanofactories (Phoenix, 2003) composed of MM may produce atomically perfect products spending negligible amount of energy (Hess, 2004) thus alleviating the…
The difficulty of simulating quantum systems, well-known to quantum chemists, prompted the idea of quantum computation. One can avoid the steep scaling associated with the exact simulation of increasingly large quantum systems on…
The ever increasing demands placed upon machine performance have resulted in the need for more comprehensive particle accelerator modeling. Computer simulations are key to the success of particle accelerators. Many aspects of particle…
Quantum computers hold promise to enable efficient simulations of the properties of molecules and materials; however, at present they only permit ab initio calculations of a few atoms, due to a limited number of qubits. In order to harness…
Expanding the frontiers of information processing technologies and, in particular, computing with ever increasing speed and capacity has long been recognized an important societal challenge, calling for the development of the next…
Quantum mechanics, the fundamental theory that governs the behaviour of matter and energy at microscopic scales, forms the foundation of quantum computing and quantum information science. As quantum technologies progress, software engineers…
The semiconductor industry is reaching a fascinating confluence in several evolutionary trends that will likely lead to a number of revolutionary changes in how computer systems are designed, implemented, scaled, and used. Since Moores Law,…
The inability of Moore's Law and other figure-of-merits (FOMs) to accurately explain the technology development of the semiconductor industry demands a holistic merit to guide the industry. Here we introduce a FOM termed CLEAR that…
We discuss a novel approach to quantum information processing with molecules based on molecular degrees of freedom which are isolated from the environment as well as from the rest of the molecule. Such a degree of freedom can provide…
Molecules and materials are the foundation for the development of modern advanced industries such as energy storage systems and semiconductor devices. However, traditional trial-and-error methods or theoretical calculations are highly…
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…
Rapid ongoing progress in quantum information science makes this an apt time for a Solvay Conference focused on The Physics of Quantum Information. Here I review four intertwined themes encompassed by this topic: Quantum computer science,…