Related papers: A Quantum-mechanical Approach for Constrained Macr…
Quantum Machine Learning has the potential to improve traditional machine learning methods and overcome some of the main limitations imposed by the classical computing paradigm. However, the practical advantages of using quantum resources…
Classical thermodynamics is unrivalled in its range of applications and relevance to everyday life. It enables a description of complex systems, made up of microscopic particles, in terms of a small number of macroscopic quantities, such as…
Quantum-matter theory (QMT), based on the Schr\"odinger or Dirac equations, is firmly established for both intra- and intermolecular interactions. However, there are two key issues with QMT. First, its applicability to large molecular…
The advent of hybrid computing platforms consisting of quantum processing units integrated with conventional high-performance computing brings new opportunities for algorithm design. By strategically offloading select portions of the…
We present a comprehensive comparison of spin and energy dynamics in quantum and classical spin models on different geometries, ranging from one-dimensional chains, over quasi-one-dimensional ladders, to two-dimensional square lattices.…
The master equation describing non-equilibrium one-dimensional problems like diffusion limited reactions or critical dynamics of classical spin systems can be written as a Schr\"odinger equation in which the wave function is the probability…
When confined to small regions quantum systems exhibit electronic and structural properties different from their free space behavior. These properties are of interest, for example, for molecular insertion, hydrogen storage and the…
Numerous molecular systems, including solutions, proteins, and composite materials, can be modeled using mixed-resolution representations, of which the quantum mechanics/molecular mechanics (QM/MM) approach has become the most widely used.…
This paper introduces a new formalism for quantum cellular automata (QCAs), based on evolving tensor products of qubits using local unitary operators. It subsequently uses this formalism to analyze and validate several conjectures, stemming…
Currently, dynamics of a massive macroparticle is given by classical analytical mechanics (CM), while that of a massive micro one is given by quantum mechanics (QM). We propose a mechanics effective for both: We transform, under coordinate…
A general prescription for the treatment of constrained quantum motion is outlined. We consider in particular constraints defined by algebraic submanifolds of the quantum state space. The resulting formalism is applied to obtain solutions…
Including quantum mechanical effects on the dynamics of nuclei in the condensed phase is challenging, because the complexity of exact methods grows exponentially with the number of quantum degrees of freedom. Efforts to circumvent these…
Analytical and practical evidence indicates the advantage of quantum computing solutions over classical alternatives. Quantum-based heuristics relying on the variational quantum eigensolver (VQE) and the quantum approximate optimization…
Quench dynamics is an active area of study encompassing condensed matter physics and quantum information, with applications to cold-atomic gases and pump-probe spectroscopy of materials. Recent theoretical progress in studying quantum…
Quantum Machine Learning (QML) shows how it maintains certain significant advantages over machine learning methods. It now shows that hybrid quantum methods have great scope for deployment and optimisation, and hold promise for future…
Quantum systems with constraints are often considered in modern theoretical physcics. All realistic field models based on the idea of gauge symmetry are of this type. A partial case of constraints being linear in coordinate and momenta…
We consider three different approaches to analyze the quantum mechanical problems in multi-well potentials: i) the standard matrix diagonalization technique in the basis sets of harmonic oscillator eigenfunctions or plain waves; ii) the…
In this work we apply Thompson's method (of the dimensions and scales) to study some features of the Quantum Electro and Chromodynamics. This heuristic method can be considered as a simple and alternative way to the Renormalisation Group…
Rational design of compounds with specific properties requires conceptual understanding and fast evaluation of molecular properties throughout chemical compound space (CCS) -- the huge set of all potentially stable molecules. Recent…
The precision of nonequilibrium thermodynamic systems is fundamentally limited, yet how quantum coherence shapes these limits remains largely unexplored. A general theoretical framework is introduced that explicitly links quantum coherence…