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Magnetic gels are soft elastic materials consisting of magnetic particles embedded in a polymer network. Their shape and elasticity can be controlled by an external magnetic field, which gives rise to both, engineering and biomedical…
Density functional theory (DFT) offers a desirable balance between quantitative accuracy and computational efficiency in practical many-electron calculations. Its central component, the exchange-correlation energy functional, has been…
Orbital-free density functional theory as an extension of traditional Thomas-Fermi theory has attracted a lot of interest in the past decade because of developments in both more accurate kinetic energy functionals and highly efficient…
Diffractive optical neural networks (DONNs), leveraging free-space light wave propagation for ultra-parallel, high-efficiency computing, have emerged as promising artificial intelligence (AI) accelerators. However, their inherent lack of…
The extension of the highly-optimized local natural orbital (LNO) CCSD(T) method is presented for high-spin open-shell molecules. The techniques enabling the outstanding efficiency of the closed-shell LNO-CCSD(T) variant are adopted,…
The purpose of the NIST Digital Repository of Mathematical Formulae (DRMF) is to create a digital compendium of mathematical formulae for orthogonal polynomials and special functions (OPSF) and of associated mathematical data. The DRMF…
Orbital-free density functional theory (OFDFT) offers a challenging way of electronic-structure calculations scaled as $\mathcal{O}(N)$ computation for system size $N$. We here develop a scheme of the OFDFT calculations based on the…
Partial differential equations (PDEs) govern a wide variety of dynamical processes in science and engineering, yet obtaining their numerical solutions often requires high-resolution discretizations and repeated evaluations of complex…
Fourier neural operators (FNOs) can learn highly nonlinear mappings between function spaces, and have recently become a popular tool for learning responses of complex physical systems. However, to achieve good accuracy and efficiency, FNOs…
Dynamical Mean Field Theory (DMFT) is a successful method to compute the electronic structure of strongly correlated materials, especially when it is combined with density functional theory (DFT). Here, we present an open-source…
Photonic platforms have emerged as versatile and powerful classical simulators of quantum dynamics, providing clean, controllable optical analogs of extended structured (i.e., crystalline) electronic systems. While most realizations to date…
FESTIM is an open-source finite element framework for modelling the transport of hydrogen isotopes in materials. It provides a flexible and extensible tool for simulating diffusion, trapping, surface interactions, and other processes that…
This paper presents Fossil 2.0, a new major release of a software tool for the synthesis of certificates (e.g., Lyapunov and barrier functions) for dynamical systems modelled as ordinary differential and difference equations. Fossil 2.0 is…
Microresonator-based degenerate optical parametric oscillation (DOPO) has recently been explored as a compelling platform for all-optical computing and quantum information applications, such as truly random number generation and the…
Neural operators extend data-driven models to map between infinite-dimensional functional spaces. While these operators perform effectively in either the time or frequency domain, their performance may be limited when applied to…
The body of work presented here revolves around the investigation of the existence and nature of extra-solar planetary systems. The fitting of stellar radial velocity time series data is attempted by constructing a model to quantify the…
Aims: The interactive software package iCosmo, designed to perform cosmological calculations is described. Methods: iCosmo is a software package to perform interactive cosmological calculations for the low redshift universe. Computing…
In this letter we present several new three and four-planet solutions based on the most current available radial velocity data for HD160691 ($\mu$Ara). These solutions are optimised using the Planetary Orbit Fitting Process (POFP) which is…
The compliant nature of soft wearable robots makes them ideal for complex multiple degrees of freedom (DoF) joints, but also introduce additional structural nonlinearities. Intuitive control of these wearable robots requires robust sensing…
Neural operators extend data-driven models to map between infinite-dimensional functional spaces. These models have successfully solved continuous dynamical systems represented by differential equations, viz weather forecasting, fluid flow,…