Related papers: A Quantum-mechanical Approach for Constrained Macr…
One of the primary challenges in quantum chemistry is the accurate modeling of strong electron correlation. While multireference methods effectively capture such correlation, their steep scaling with system size prohibits their application…
The Local Hamiltonian problem (finding the ground state energy of a quantum system) is known to be QMA-complete. The Local Consistency problem (deciding whether descriptions of small pieces of a quantum system are consistent) is also known…
Severe methodological and numerical problems of the traditional quantum mechanical approach to the description of molecular systems are outlined. To overcome these, a simple alternative to the Born-Oppenheimer approximation is presented on…
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…
We investigate the multi-chain version of the Chemical Master Equation, when there are transitions between different states inside the long chains, as well as transitions between (a few) different chains. In the discrete version, such a…
Quantum Monte Carlo (QMC) methods have received considerable attention over the last decades due to their great promise for providing a direct solution to the many-body Schrodinger equation in electronic systems. Thanks to their low scaling…
In this work we illustrate the basic development of the constrained molecular dynamics applied to the N-body problem in nuclear physics. The heavy computational taskes related to quantum effects, to the presence of the "hard core" repulsive…
Phase diagrams chart material properties with respect to one or more external or internal parameters such as pressure or magnetisation; as such, they play a fundamental role in many theoretical and applied fields of science. In this work,…
Since the advent of quantum mechanics, classical probability interpretations have faced significant challenges. A notable issue arises with the emergence of negative probabilities when attempting to define the joint probability of…
Mechanics can be founded on a principle relating the uncertainty delta-q in the trajectory of an observable particle to its motion relative to the observer. From this principle, p.delta-q=const., p being the q-conjugated momentum,…
A quantum chain model of many molecule motors is proposed as a mathematical physics theory on the microscopic modeling of classical force-velocity relation and tension transients of muscle fibre. We proposed quantum many-particle…
In this paper we give an overview of the quantum computational complexity class QMA and a description of known QMA-complete problems to date. Such problems are believed to be difficult to solve, even with a quantum computer, but have the…
The physics of many closed, conservative systems can be described by both classical and quantum theories. The dynamics according to classical theory is symplectic and admits linear instabilities which would initially seem at odds with a…
Quantum algorithms offer the potential for significant computational advantages; however, in many cases, it remains unclear how these advantages can be practically realized. Causal Set Theory is a discrete, Lorentz-invariant approach to…
This study investigates the thermal properties of the repulsive Fermi-Hubbard model with chemical potential using variational quantum algorithms, crucial in comprehending particle behaviour within lattices at high temperatures in condensed…
A classical particle under spatial constraints is strictly confined to live on a specific space manifold or path, but this assumption is incompatible with the zero-point fluctuations of a quantum particle. One way to describe quantum…
The development of quantum computers has been the stimulus that enables the realization of Quantum Machine Learning (QML), an area that integrates the calculational framework of quantum mechanics with the adaptive properties of classical…
Cooling atoms to ultralow temperatures has produced a wealth of opportunities in fundamental physics, precision metrology, and quantum science. The more recent application of sophisticated cooling techniques to molecules, which has been…
The article contains an overview of authors achievements in development of alternative quantum-chemical approaches oriented towards revival of the classical tradition of qualitative chemical thinking instead of obtaining numerical results.…
Quantum computing promises to speed up some of the most challenging problems in science and engineering. Quantum algorithms have been proposed showing theoretical advantages in applications ranging from chemistry to logistics optimization.…