Related papers: Symmetry adaptation for self-consistent many-body …
Reducing the dimensionality and uncertainty of design spaces is a key prerequisite for shape optimisation in computationally intensive fluid problems. However, running these analyses at an offline stage itself poses a computationally…
The conservation of energy, linear momentum and angular momentum are important drivers for our physical understanding of the evolution of the Universe. These quantities are also conserved in Newton's laws of motion under gravity…
Some years ago, one of the authors~(MM) revived a concept to which he gave the name of single-particle Dirac oscillator, while another~(CQ) showed that it corresponds to a realization of supersymmetric quantum mechanics. The Dirac…
We investigate the use of conformal maps for the acceleration of convergence of the trapezoidal rule and Sinc numerical methods. The conformal map is a polynomial adjustment to the $\sinh$ map, and allows the treatment of a finite number of…
While the periodic equation-of-motion coupled-cluster (EOM-CC) method promises systematic improvement of electronic band gap calculations in solids, its practical application at the singles and doubles level (EOM-CCSD) is hindered by severe…
The aim of this paper is to develop stable and accurate numerical schemes for boundary integral formulations of the heat equation with Dirichlet boundary conditions. The accuracy of Galerkin discretisations for the resulting boundary…
The finite parts of a large, locally interacting many-body system prepared out-of-equilibrium eventually equilibrate. Characterising the underlying mechanisms of this process and its timescales, however, is particularly hard as it requires…
We implement several symplectic integrators, which are based on two part splitting, for studying the chaotic behavior of one- and two-dimensional disordered Klein-Gordon lattices with many degrees of freedom and investigate their numerical…
Analytical methods are used to prove the existence of a periodic, symmetric solution with singularities in the planar 4-body problem. A numerical calculation and simulation are used to generate the orbit. The analytical method easily…
The tremendous challenge of comparing our theoretical models with the gravitational-wave observations in the new era of multimessenger astronomy requires accurate and fast numerical simulations of complicated physical systems described by…
We present new computational results for symplectic monodromy groups of hypergeometric differential equations. In particular, we compute the arithmetic closure of each group, sometimes justifying arithmeticity. The results are obtained by…
In order for methods combining ab initio density-functional theory and many-body techniques to become routinely used, a flexible, fast, and easy-to-use implementation is crucial. We present an implementation of a general charge…
By following the conventional similarity renormalization group (SRG) expansion of the Dirac equation developed in [J.-Y. Guo, Phys. Rev. C \textbf{85}, 021302 (2012)], we work out the analytic expression of the ${1}/{M^4}$ order and verify…
The adaptive $s$-step CG algorithm is a solver for sparse, symmetric positive definite linear systems designed to reduce the synchronization cost per iteration while still achieving a user-specified accuracy requirement. In this work, we…
A systolic algorithm rhythmically computes and passes data through a network of processors. We investigate the performance of systolic algorithms for implementing the gravitational N-body problem on distributed-memory computers. Systolic…
We review our recently developed electronic structure calculation methods used for the dynamics of large-scale solids or liquids with an efficient algorithm for large scale simultaneous linear equations. The electronic structure calculation…
We present a novel convex formulation that weakly couples the Material Point Method (MPM) with rigid body dynamics through frictional contact, optimized for efficient GPU parallelization. Our approach features an asynchronous time-splitting…
This study proposes a high-order multi-scale method tailored for time-dependent nonlinear thermo-electro-mechanical coupling problems of composite structures with highly spatial heterogeneity, which incorporate temperature-dependent…
We implement an adaptive mesh algorithm for calculating the space and time dependence of the atomic density field during materials processing. Our numerical approach uses the systematic renormalization-group formulation of the phase field…
The dynamics simulation of multibody systems (MBS) using spatial velocities (non-holonomic velocities) requires time integration of the dynamics equations together with the kinematic reconstruction equations (relating time derivatives of…