Related papers: Self-consistent GW method: O(N) algorithm for pola…
Solar cells based on a light absorbing layer of the organometal halide perovskite CH$_3$NH$_3$PbI$_3$ have recently reached 15% conversion efficiency, though how these materials work remains largely unknown. We analyse the electronic…
Capacitive coupling wireless power transfer (CCWPT) is one of the pervasive methods to transfer power in the reactive near-field zone. In this paper, a flexible design methodology based on Binary Particle Swarm Optimization (BPSO) algorithm…
The GW self-energy may become computationally challenging to evaluate because of frequency and momentum convolutions. These difficulties were recently addressed by the development of the multipole approximation (MPA) and the W-av methods:…
Projection-free optimization via different variants of the Frank-Wolfe (FW) method has become one of the cornerstones in large scale optimization for machine learning and computational statistics. Numerous applications within these fields…
We present a novel self-correcting, high-speed optoelectronic probabilistic computer architecture that leverages source-device independent (SDI) quantum photonic p-bits integrated with robust electronic control. Our approach combines the…
The exploitation of space group symmetries in numerical calculations of periodic crystalline solids accelerates calculations and provides physical insight. We present results for a space-group symmetry adaptation of electronic structure…
Potential energy surfaces of even-even superheavy nuclei are evaluated within the macroscopic-microscopic approximation. A very rapidly converging analytical Fourier-type shape parametrization is used to describe nuclear shapes throughout…
We introduce a method for solving a self consistent electronic calculation within localized atomic orbitals, that allows us to converge to the complete basis set (CBS) limit in a stable, controlled, and systematic way. We compare our…
We have implemented a control system for experiments in atomic, molecular and optical physics based on a commercial low-cost board, featuring a field-programmable gate array as part of a system-on-a-chip on which a Linux operating system is…
In this paper, we show new algorithms, hardness results and applications for $\sf{S|LWE\rangle}$ and $\sf{C|LWE\rangle}$ with real Gaussian, Gaussian with linear or quadratic phase terms, and other related amplitudes. Let $n$ be the…
Similar to other electron correlation methods, many-body perturbation theory methods based on Green functions, such as the so-called $GW$ approximation, suffer from the usual slow convergence of energetic properties with respect to the size…
Experiments with trapped ions and neutral atoms typically employ optical modulators in order to control the phase, frequency, and amplitude of light directed to individual atoms. These elements are expensive, bulky, consume substantial…
Ab initio GW calculations are a standard method for computing the spectroscopic properties of many materials. The most computationally expensive part in conventional implementations of the method is the generation and summation over the…
The processes of coherent bremsstrahlung (CB) and coherent pair production (CPP) based on aligned crystal targets have been studied in the energy range 20-170 GeV. The experimental arrangement allowed for measurements of single photon…
The HFB self-consistent method has been applied to study the properties of several neutron deficient superheavy nuclei with Z=120-124, N=160-168. Their distinctive feature is the existence of minima of the total HFB energy for strongly…
Computing the $GW$ quasiparticle bandstructure and Bethe-Salpeter Equation (BSE) absorption spectra for materials with spin-orbit coupling has commonly been done by treating $GW$ corrections and spin-orbit coupling as separate perturbations…
We have developed a multi-GPU version of the quasiparticle self-consistent $GW$ (QSGW), a cutting-edge method for describing electronic excitations in a first-principles approach. While the QSGW calculation algorithm is inherently…
We present low-scaling algorithms for $GW$ and constrained random phase approximation based on a symmetry-adapted interpolative separable density fitting (ISDF) procedure that incorporates the space-group symmetries of crystalline systems.…
Benchmarking and characterising quantum states and logic gates is essential in the development of devices for quantum computing. We introduce a Bayesian approach to self-consistent process tomography, called fast Bayesian tomography (FBT),…
We present results for the electronic structure of plutonium by using a recently developed quasiparticle self-consistent $GW$ method (\qsgw). We consider a paramagnetic solution without spin-orbit interaction as a function of volume for the…