Related papers: Symmetry adaptation for self-consistent many-body …
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.…
Incorporating known symmetries in data into machine learning models has consistently improved predictive accuracy, robustness, and generalization. However, achieving exact invariance to specific symmetries typically requires designing…
The similarity renormalization group is used to transform Dirac Hamiltonian into a diagonal form, which the upper (lower) diagonal element becomes an operator describing Dirac (anti-)particle. The eigenvalues of the operator are verfied to…
Diagrammatic expansions are a paradigmatic and powerful tool of quantum many-body theory. Their evaluation to high order, e.g., by the Diagrammatic Monte Carlo technique, can provide unbiased results in strongly correlated and challenging…
Conservation of symmetries plays a crucial role in both classical and quantum simulations of many-body systems, enabling the tracking of states with specific symmetry properties and leading to substantial reductions in the number of…
Classical simulation of quantum circuits plays a crucial role in validating quantum hardware and delineating the boundaries of quantum advantage. Among the most effective simulation techniques are those based on the stabilizer extent, which…
We present a new ab-initio method that uses similarity renormalization group (SRG) techniques to continuously diagonalize nuclear many-body Hamiltonians. In contrast with applications of the SRG to two- and three-nucleon interactions in…
The time-symmetric block time--step (TSBTS) algorithm is a newly developed efficient scheme for $N$--body integrations. It is constructed on an era-based iteration. In this work, we re-designed the TSBTS integration scheme with dynamically…
Direct $N$-body simulations of a large number of particles, especially in the study of planetesimal dynamics and planet formation, have been computationally challenging even with modern machines. This work presents the combination of fully…
Exact diagonalization (ED) is one of the most reliable and established numerical methods of quantum many-body theory. The main limiting factor of the method is the exponential scaling of Hilbert space dimension with system size.…
This is the first in a series of papers devoted to fully general-relativistic $N$-body simulations applied to late-time cosmology. The purpose of this paper is to present the combination of a numerical relativity scheme, discretization…
Symmetry in mathematical programming may lead to a multiplicity of solutions. In nonconvex optimisation, it can negatively affect the performance of the branch-and-bound algorithm. Symmetry may induce large search trees with multiple…
We present a method for electronic structure calculations that retains all of the advantages of real space and addresses the inherent inefficiency of a regular grid, which has equal precision everywhere. The computations are carried out on…
A major advance in density-matrix renormalization group (DMRG) calculations has been achieved by the invention of highly efficient DMRG techniques for the simulation of real-time dynamics of strongly correlated quantum systems in one…
At physical light quark masses, efficient linear solvers are crucial for carrying out the millions of inversions of the Dirac matrix required for obtaining high statistics in quark correlation functions. Adaptive algebraic multi-grid…
Using the recently developed version of the GW method employing the one-site approximation and self-consistent quasiparticle basis set we calculated the electronic structure of 3d and 4d transition metals at experimental atomic volumes. The…
An adpative integration technique for time advancement of particle motion in the context of coupled computational fluid dynamics (CFD) - discrete element method (DEM) simulations is presented in this work. CFD-DEM models provide an accurate…
In this article, we combine the periodic sinc basis set with a curvilinear coordinate system for electronic structure calculations. This extension allows for variable resolution across the computational domain, with higher resolution close…
Conformal symmetry heavily constrains the dynamics of non-relativistic quantum gases tuned to a nearby quantum critical point. One important consequence of this symmetry is that entropy production can be absent in far away from equilibrium…
The ongoing progress in (nuclear) many-body theory is accompanied by an ever-rising increase in complexity of the underlying formalisms used to solve the stationary Schr\"odinger equation. The associated working equations at play in…