Related papers: Comment on "Accurate and Scalable O(N) Algorithm f…

The real-space density-functional perturbation theory (DFPT) for the computations of the response properties with respect to the atomic displacement and homogeneous electric field perturbation has been recently developed and implemented…

Comments on "Giant Dielectric Response in the One-Dimensional Charge-Ordered Semiconductor (NbSe_{4})_{3}I" (D. Staresinic et al., Phys. Rev. Lett. 96, 046402 (2006)) and "Colossal Magnetocapacitance and Colossal Magnetoresistance in…

Modern analog computers are ideally suited to solving large systems of ordinary differential equations at high speed with low energy consumtion and limited accuracy. In this article, we survey N-body physics, applied to a simple water model…

Molecular dynamics (MD) simulations are used in biochemistry, physics, and other fields to study the motions, thermodynamic properties, and the interactions between molecules. Computational limitations and the complexity of these problems,…

Comment on the Letter by W. Rantner and X-G. Wen, Phys. Rev. Lett. v.86, p.3871 (2001).

The Fast Multipole Method (FMM) offers an acceleration for pairwise interaction calculation, known as $N$-body problems, from $\mathcal{O}(N^2)$ to $\mathcal{O}(N)$ with $N$ particles. This has brought dramatic increase in the capability of…

Learning system dynamics directly from observations is a promising direction in machine learning due to its potential to significantly enhance our ability to understand physical systems. However, the dynamics of many real-world systems are…

In the study the response time of ultrafast transistor and peak transient current to prevent melt down of nano-chips, the first principles transient current calculation plays an essential role in nanoelectronics. The first principles…

Comment on "Liquids on Topologically Nanopatterned Surfaces" by O. Gang et al, Phys. Rev. Lett. 95, 217801 (2005). See also an erratum published by O. Gang et al (Phys Rev Lett, to appear)

We present a novel class of methods to compute functions of matrices or their action on vectors that are suitable for parallel programming. Solving appropriate simple linear systems of equations in parallel (or computing the inverse of…

The scalability of massively parallel algorithms is a fundamental question in computer science. We study the scalability and the efficiency of a conservative massively parallel algorithm for discrete-event simulations where the discrete…

This comment highlights two methodological issues with the recent article by Velten et al. [Biomed Phys Eng Express 2023;9:045004]

Linear scaling methods, or O(N) methods, have computational and memory requirements which scale linearly with the number of atoms in the system, N, in contrast to standard approaches which scale with the cube of the number of atoms. These…

Short review article on quantum computation accepted for Supplement III, Encyclopaedia of Mathematics (publication expected Summer 2001). See also http://www.wkap.nl/series.htm/ENM

This reply tries to rectify some misunderstandings that are in our opinion contained in the Comment by Campostrini and Rossi, <hep-lat 99407008> on our paper <hep-lat 9407003>.

We make comments on Gaidarzhy {\it et al.}'s [{\it Phys. Rev. Lett.} 94, 030402 (2005)] letter.

Spatial stochastic molecular simulations in biology are limited by the intense computation required to track molecules in space either in a discrete time or discrete space framework, meaning that the serial limit has already been reached in…

We introduce a scheme for molecular simulations, the Deep Potential Molecular Dynamics (DeePMD) method, based on a many-body potential and interatomic forces generated by a carefully crafted deep neural network trained with ab initio data.…

A novel code for the approximate computation of long-range forces between N mutually interacting bodies is presented. The code is based on a hierarchical tree of cubic cells and features mutual cell-cell interactions which are calculated…

The dynamic linear response of a quantum system is critical for understanding both the structure and dynamics of strongly-interacting quantum systems, including neutron scattering from materials, photon and electron scattering from atomic…