Related papers: Quantum computational chemistry
We show how a quantum computer can be employed to elucidate reaction mechanisms in complex chemical systems, using the open problem of biological nitrogen fixation in nitrogenase as an example. We discuss how quantum computers can augment…
The NSF Workshop in Quantum Information and Computation for Chemistry assembled experts from directly quantum-oriented fields such as algorithms, chemistry, machine learning, optics, simulation, and metrology, as well as experts in related…
Simulating quantum mechanics is known to be a difficult computational problem, especially when dealing with large systems. However, this difficulty may be overcome by using some controllable quantum system to study another less controllable…
Quantum computers promise to efficiently solve not only problems believed to be intractable for classical computers, but also problems for which verifying the solution is also considered intractable. This raises the question of how one can…
Quantum Computing (QC) refers to an emerging paradigm that inherits and builds with the concepts and phenomena of Quantum Mechanic (QM) with the significant potential to unlock a remarkable opportunity to solve complex and computationally…
I provide an introduction to quantum computers, describing how they might be realized using language accessible to a solid state physicist. A listing of the minimal requirements for creating a quantum computer is given. I also discuss…
Quantum computational chemistry is a potential application of quantum computers that is expected to effectively solve several quantum-chemistry problems, particularly the electronic structure problem. Quantum computational chemistry can be…
Recent advancements in quantum computing are leading to an era of practical utility, enabling the tackling of increasingly complex problems. The goal of this era is to leverage quantum computing to solve real-world problems in fields such…
Quantum information processing is the use of inherently quantum mechanical phenomena to perform information processing tasks that cannot be achieved using conventional classical information technologies. One famous example is quantum…
Developing high-performance materials is critical for diverse energy applications to increase efficiency, improve sustainability and reduce costs. Classical computational methods have enabled important breakthroughs in energy materials…
Experiments with superconducting quantum processors have successfully demonstrated the basic functions needed for quantum computation and evidence of utility, albeit without a sizable array of error-corrected qubits. The realization of the…
Faster algorithms, novel cryptographic mechanisms, and alternative methods of communication become possible when the model underlying information and computation changes from a classical mechanical model to a quantum mechanical one. Quantum…
The emerging field of quantum computing has shown it might change how we process information by using the unique principles of quantum mechanics. As researchers continue to push the boundaries of quantum technologies to unprecedented…
Machine learning models are poised to make a transformative impact on chemical sciences by dramatically accelerating computational algorithms and amplifying insights available from computational chemistry methods. However, achieving this…
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…
Future quantum computers are anticipated to be able to perform simulations of quantum many-body systems and quantum field theories that lie beyond the capabilities of classical computation. This will lead to new insights and predictions for…
Since its inception at the beginning of the twentieth century, quantum mechanics has challenged our conceptions of how the universe ought to work; however, the equations of quantum mechanics can be too computationally difficult to solve…
The promise of quantum computing is not speeding up conventional computing rather delivering an exponential advantage for certain classes of problems, with profound implications for cybersecurity for instance. With the advent and…
This Perspective focuses on the several overlaps between quantum algorithms and Monte Carlo methods in the domains of physics and chemistry. We will analyze the challenges and possibilities of integrating established quantum Monte Carlo…
Quantum computing comes with the potential to push computational boundaries in various domains including, e.g., cryptography, simulation, optimization, and machine learning. Exploiting the principles of quantum mechanics, new algorithms can…