Related papers: Power series expansion method in tensor-optimized …
Relying upon our previous treatment of the density matrices for nuclei (in general, nonrelativistic self-bound finite systems) we are studying a combined effect of center-of-mass motion and short-range nucleon-nucleon correlations on the…
We develop a novel method of replica-exchange molecular dynamics (REMD) simulation, mass-scaling REMD (MSREMD) method, which improves trajectory accuracy at high temperatures, and thereby contributes to numerical stability. In addition, the…
We identify topological dissipation -- momentum transport along the polymer backbone with Ising-type exponential decay ($\sim \exp(-\Delta n/n_\text{d})$) -- as the missing link connecting atomistic and mesoscale dynamics. Simulations of…
We consider convex relaxations for recovering low-rank tensors based on constrained minimization over a ball induced by the tensor nuclear norm, recently introduced in \cite{tensor_tSVD}. We build on a recent line of results that considered…
Quantum processing units boost entanglement at the level of hardware and enable physical simulations of highly correlated electron states in molecules and intermolecular chemical bonds. The variational quantum eigensolver provides a…
Energy transfer across scales is fundamental in fluid dynamics, linking large-scale flow motions to small-scale turbulent structures in engineering and natural environments. Triadic interactions among three wave components form complex…
The Toda criterion of the Gaussian curvature is applied to calculate analytically the transition energy from regular to chaotic motion in a schematic model describing the interaction between collective dipole and quadrupole modes in atomic…
Massively parallel computer architectures create new opportunities for the performance of long-timescale molecular dynamics (MD) simulations. Here, we introduce the path-accelerated molecular dynamics (PAMD) method that takes advantage of…
The TOV equations govern the radial evolution of pressure and energy density in static neutron stars (NSs) in hydrodynamical equilibrium. Using the reduced pressure and energy density with respect to the NS central energy density, the…
We introduce mapping-variable ring polymer molecular dynamics (MV-RPMD), a model dynamics for the direct simulation of multi-electron processes. An extension of the RPMD idea, this method is based on an exact, imaginary time path-integral…
The increasing penetration of renewable energy sources, characterised by low inertia and intermittent disturbances, presents substantial challenges to power system stability. As critical indicators of system stability, frequency dynamics…
Three different cluster expansions for the evaluation of correlated one-body properties of s-p and s-d shell nuclei are compared. Harmonic oscillator wave functions and Jastrow type correlations are used, while analytical expressions are…
In our previous work \cite{PTA2} we calculated the overlap reduction function for the tensor polarization without employing the short wavelength approximation, this was done by obtaining a power series of nested sums which is valid for all…
The internal dynamics of strongly interacting systems and that of biomolecules such as proteins display several important analogies, despite the huge difference in their characteristic energy and length scales. For example, in all such…
Molecular Dynamics method is based on solution of Newtonian differential equations of motion. A new very accurate and efficient time-reversible explicit integrator was derived on the basis of second order Tailor expansion of force. There is…
Accurate treatment of the long-range electron correlation energy, including van der Waals (vdW) or dispersion interactions, is essential for describing the structure, dynamics, and function of a wide variety of systems. Among the most…
Path-integral techniques are a powerful tool used in open quantum systems to provide an exact solution for the non-Markovian dynamics. However, the exponential scaling of the tensor size with quantum memory length of these techniques limits…
A variational approach, based on a discrete representation of the chain, is used to calculate free energy and conformational properties in polyelectrolytes. The true bond and Coulomb potentials are approximated by a trial isotropic harmonic…
The collective motion of a finite nuclear system is investigated by numerical simulation and by linear response theory. Using a pseudo-particle simulation technique we analyze the giant resonances with a multipole decomposition scheme. We…
The chiral soliton lattice is an array of topological solitons realized as ground states of QCD at finite density under strong magnetic fields or rapid rotation, and chiral magnets with an easy-plane anisotropy. In such cases, topological…