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Thermodynamic models are often vital when characterising complex systems, particularly natural gas, electrolyte, polymer, pharmaceutical and biological systems. However, their implementations have historically been abstruse and cumbersome,…
We propose a method for the efficient quantum simulation of fermionic systems with superconducting circuits. It consists in the suitable use of Jordan-Wigner mapping, Trotter decomposition, and multiqubit gates, be with the use of a quantum…
We present an open source Python library for simulating overlapping (i.e., blended) images of galaxies and performing self-consistent comparisons of detection and deblending algorithms based on a suite of metrics. The package, named…
The current fabrication and assembly of fluidic circuits for soft robots relies heavily on manual processes; as the complexity of fluidic circuits increases, manual assembly becomes increasingly arduous, error-prone, and timeconsuming. We…
Simulating the time-dynamics of quantum many-body systems was the original use of quantum computers proposed by Feynman, motivated by the critical role of quantum interactions between electrons in the properties of materials and molecules.…
Recent years have seen many successful applications of machine learning (ML) to facilitate fluid dynamic computations. As simulations grow, generating new training datasets for traditional offline learning creates I/O and storage…
We propose a new method of detecting the onset of superfluidity in a two-component ultracold fermionic gas of atoms governed by an attractive short-range interaction. By studying the two-body correlation functions we find that a measurement…
We develop the auxiliary field formalism corresponding to a dilute system of spin-1/2 fermions. This theory represents the Fermi counterpart of the BEC theory developed recently by F. Cooper et al. [Phys. Rev. Lett. 105, 240402 (2010)] to…
This work develops a new open source API and software package called \textit{SymPhas} for simulations of phase-field, phase-field crystal and reaction-diffusion models, supporting up to three dimensions and an arbitrary number of fields.…
The pseudogap phenomenon is a hallmark of strongly interacting Fermi systems, from high-temperature superconductors to ultracold atomic gases, yet its precise origin remains debated. Here we calculate the spectral function and rf spectra of…
Machine learning (ML) models for predicting gas permeability through polymers have traditionally relied on experimental data. While these models exhibit robustness within familiar chemical domains, reliability wanes when applied to new…
We examine the effective interaction of nonrelativistic fermions with an external vector field in superfluid systems. In contrast to the complicated vertex equation, usually used in this case, we apply the approach which does not employ an…
Contemporary materials science research is heavily conducted in silico, involving massive simulations of the atomic-scale evolution of materials. Cataloging basic patterns in the atomic displacements is key to understanding and predicting…
CFD-DEM is used to simulate solid-fluid systems. DEM models the motion of discrete particles while CFD models the fluid phase. Coupling both necessitates the calculation of the void fraction and the solid-fluid forces resulting in a…
In chemical process engineering, surrogate models of complex systems are often necessary for tasks of domain exploration, sensitivity analysis of the design parameters, and optimization. A suite of computational fluid dynamics (CFD)…
Accurately capturing the dynamic forces acting on rotors as well as their wake effects presents a significant challenge for computational fluid dynamics (CFD) due to high Reynolds numbers and a large range of spatio-temporal scales. The…
The simulation of quantum many-body systems, relevant for quantum chemistry and condensed matter physics, is one of the most promising applications of near-term quantum computers before fault-tolerance. However, since the vast majority of…
High-field superconducting REBCO magnets contain several coils with many turns. For these magnets, electro-thermal quench is an issue that magnet designers need to take into account. Thus, there is a need for a fast and accurate software to…
Simulating electrified metal/water interfaces with explicit solvent under constant potential is essential for understanding electrochemical processes, yet remains prohibitively expensive with ab initio methods. We present TRECI, a…
The prediction of material properties through electronic-structure simulations based on density-functional theory has become routinely common, thanks, in part, to the steady increase in the number and robustness of available simulation…