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It is shown that all of the basic properties of the hydrogen atom can be consistently described in terms of classical electrodynamics instead of taking the electron to be a particle; we consider an electrically charged classical wave field,…
In the half century since the 1950s computer simulation has transformed our understanding of physics. The rare, expensive, slow, and bulky mainframes of World War II have given way to today's millions of cheap, fast, desksized workstations…
Quantum computer provides new opportunities for quantum chemistry. In this article, we present a versatile, extensible, and efficient software package, named Q$^2$Chemistry, for developing quantum algorithms and quantum inspired classical…
The current state of quantum computing is commonly described as the Noisy Intermediate-Scale Quantum era. Available computers contain a few dozens of qubits and can perform a few dozens of operations before the inevitable noise erases all…
It is demonstrated, how the theoretical analysis preceding the numerical calculations helps to calculate the energy of the ground state of helium atom, and enables to avoid qualitative errors in the calculations of the characteristics of…
Since a pure quantum system is incapable of faithfully simulating the solutions of the Schroedinger equation that actually pertains to itself, it is proposed that quantum computing technology (as opposed to cryptographic technology) not be…
Quantum computational chemistry holds great promise for simulating molecular systems more efficiently than classical methods by leveraging quantum bits to represent molecular wavefunctions. However, current implementations face significant…
We describe a quantum computer based on electrons supported by a helium film and localized laterally by small electrodes just under the helium surface. Each qubit is made of combinations of the ground and first excited state of an electron…
Building a useful quantum computer is a grand science and engineering challenge, currently pursued intensely by teams around the world. In the 1980s, Richard Feynman and Yuri Manin observed independently that computers based on quantum…
The exact solution of Schrodinger equation for atoms, molecules and extended systems continues to be a "Holy Grail" problem that the entire field has been striving to solve since its inception. Recently, breakthroughs have been made in the…
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…
The accurate computation of properties of large molecular systems is classically infeasible and is one of the applications in which it is hoped that quantum computers will demonstrate an advantage over classical devices. However, due to the…
Quantum computing is evolving so rapidly that it forces us to revisit, rewrite, and update the foundations of the theory. \emph{Basic Quantum Algorithms} revisits the earliest quantum algorithms. The journey began in 1985 with Deutsch…
Quantum computers are appealing for their ability to solve some tasks much faster than their classical counterparts. It was shown in [Aspuru-Guzik et al., Science 309, 1704 (2005)] that they, if available, would be able to perform the full…
While the treatment of chemically relevant systems containing hundreds or even thousands of electrons remains beyond the reach of quantum devices, the development of quantum-classical hybrid algorithms to resolve electronic correlation…
A major milestone of quantum error correction is to achieve the fault-tolerance threshold beyond which quantum computers can be made arbitrarily accurate. This requires extraordinary resources and engineering efforts. We show that even…
A classical computer simulating Schrodinger dynamics of a quantum system requires resources which scale exponentially with the size of the system, and is regarded as inefficient for such purposes. However, a quantum computer made up of a…
Accurately solving the Schr\"odinger equation remains a central challenge in computational physics, chemistry, and materials science. Here, we propose an alternative eigenvalue problem based on a system's autocorrelation function, avoiding…
The purely algebraic technique associated with the creation and annihilation operators to resolve the radial equation of Hydrogen-like atoms (HLA) for generating the bound energy spectrum and the corresponding wave functions is suitable for…
Four decades after Richard Feynman's famous remark, we have reached a stage at which nature can be simulated quantum mechanically. Quantum simulation is among the most promising applications of quantum computing. However, like many quantum…