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Scattering or tunneling of an electron at a potential barrier is a fundamental quantum effect. Electron-electron interactions often affect the scattering, and understanding of the interaction effect is crucial in detection of various…
This study examines the potential for fault-tolerant quantum computers to provide utility in fluid dynamics simulations, with a focus on drag force calculations for ship hull design. We assess whether quantum algorithms can surpass…
We present a novel "linear combination of atomic orbitals"-type of approximation, enabling accurate electronic structure calculations for systems of up to 20 or more electronically coupled quantum dots. Using realistic single quantum dot…
The quantum critical regime marks a zone in the phase diagram where quantum fluctuation around the critical point plays a significant role at finite temperatures. While it is of great physical interest, simulation of the quantum critical…
Quantum computing uses the physical principles of very small systems to develop computing platforms which can solve problems that are intractable on conventional supercomputers. There are challenges not only in building the required…
It has become clear in recent years that the configuration space of the nuclear Skyrme model has, in each topological class, many almost degenerate local energy minima and that the number of such minima grows with the degree (or baryon…
Energy minimization of Ising spin-glasses has played a central role in statistical and solid-state physics, facilitating studies of phase transitions and magnetism. Recent proposals suggest using Ising spin-glasses for non-traditional…
Computer-aided engineering techniques are indispensable in modern engineering developments. In particular, partial differential equations are commonly used to simulate the dynamics of physical phenomena, but very large systems are often…
A quantum thermodynamic system is described by a Hamiltonian and a list of conserved, non-commuting charges, and a fundamental goal is to determine the minimum energy of the system subject to constraints on the charges. Recently, [Liu et…
In this study we suggest new approach to turbulence modeling. To develop this approach, we construct the set of the vortex-like dynamical systems evolving in the space $E_3$. These systems are constructed using the AKNS hierarchy so that…
The traditional approach for studying the physics of the strong interactions employs a basic computational construct originally proposed by Wilson in the 1970s. Over the years additional enhancements have been added to this formulation to…
Applications of quantum simulation algorithms to obtain electronic energies of molecules on noisy intermediate-scale quantum (NISQ) devices require careful consideration of resources describing the complex electron correlation effects. In…
GBs evolve by the nucleation and glide of disconnections, which are dislocations with a step character. In this work, motivated by recent success in predicting GB properties such as the shear coupling factor and mobility from the intrinsic…
Quantum computing has recently been emerging in theoretical chemistry as a realistic avenue meant to offer computational speedup to challenging eigenproblems in the context of strongly-correlated molecular systems or extended materials.…
Accurately computing the free energies of biological processes is a cornerstone of computer-aided drug design but it is a daunting task. The need to sample vast conformational spaces and account for entropic contributions makes the…
A key question in the thermodynamics of open quantum systems is how to partition thermodynamic quantities such as entropy, work, and internal energy between the system and its environment. We show that the only partition under which entropy…
Despite the increasing interest, the research field which studies the concepts of work and heat at quantum level has suffered from two main drawbacks: first, the difficulty to properly define and measure the work, heat and internal energy…
A dual hybrid Virtual Element scheme for plane linear elastic problems is presented and analysed. In particular, stability and convergence results have been established. The method, which is first order convergent, has been numerically…
We study work extraction from the Dicke model achieved using simple unitary cyclic transformations keeping into account both a non optimal unitary protocol, and the energetic cost of creating the initial state. By analyzing the role of…
Quantum computing has recently exhibited great potentials in predicting chemical properties for various applications in drug discovery, material design, and catalyst optimization. Progress has been made in simulating small molecules, such…