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Simulations of quantum chemistry and quantum materials are believed to be among the most important potential applications of quantum information processors, but realizing practical quantum advantage for such problems is challenging. Here,…
DeePMD-kit is a powerful open-source software package that facilitates molecular dynamics simulations using machine learning potentials (MLP) known as Deep Potential (DP) models. This package, which was released in 2017, has been widely…
Complex soft matter systems can be efficiently studied with the help of adaptive resolution simulation methods, concurrently employing two levels of resolution in different regions of the simulation domain. The non-matching properties of…
This paper presents a system for solving binary-valued linear equations using quantum computers. The system is called Mod2VQLS, which stands for Modulo2 Variational Quantum Linear Solver. As far as we know, this is the first such proposal.…
fwdpp is a C++ library of routines intended to facilitate the development of forward-time simulations under arbitrary mutation and fitness models. The library design provides a combination of speed, low memory overhead, and modeling…
M2C (Multiphysics Modeling and Computation) is an open-source software for simulating multi-material fluid flows and fluid-structure interactions under extreme conditions, such as high pressures, high temperatures, shock waves, and large…
We survey applications of the theory of hyperbolic (and to a lesser extent non hyperbolic) billiards to some fundamental problems of statistical physics and their mathematically rigorous derivations in the framework of classical Hamiltonian…
We formulate the necessary conditions for the integrability of a certain family of Hamiltonian systems defined in the constant curvature two-dimensional spaces. Proposed form of potential can be considered as a counterpart of a homogeneous…
Quantum computation can be achieved by preparing an appropriate initial product state of qudits and then letting it evolve under a fixed Hamiltonian. The readout is made by measurement on individual qudits at some later time. This approach…
In a Hamiltonian system with impacts (or "billiard with potential"), a point particle moves about the interior of a bounded domain according to a background potential, and undergoes elastic collisions at the boundaries. When the background…
The Lattice Boltzmann method has been gaining acceptance for hydrodynamic problems involving complex boundaries, non-equilibrium dynamics and interfacial phenomena in multiphase or multicomponent systems. lb2d.pm is a Perl module offering a…
An algorithm is presented that formalizes different steps in a classical Supersymmetric (SUSY) calculation. Based on the algorithm Dill, a symbolic software package, that can perform the calculations, is developed in the Mathematica…
We introduce a hybrid classical-quantum algorithm to compute dynamical correlation functions and excitation spectra in many-body quantum systems, with a focus on molecular systems. The method combines classical preparation of a perturbed…
In the last years, we have been witnessing a tremendous push to demonstrate that quantum computers can solve classically intractable problems. This effort, initially focused on the hardware, progressively included the simplification of the…
We study classical and quantum dynamics of a particle in a circular billiard with a straight cut. This system can be integrable, nonintegrable with soft chaos, or nonintegrable with hard chaos, as we vary the size of the cut. We use a…
The Locust simulation package is a new C++ software tool developed to simulate the measurement of time-varying electromagnetic fields using RF detection techniques. Modularity and flexibility allow for arbitrary input signals, while…
Tingkat kompleksitas dari program simulasi dinamika molekular membutuhkan mesin pemroses dengan kemampuan yang sangat besar. Mesin-mesin paralel terbukti memiliki potensi untuk menjawab tantangan komputasi ini. Untuk memanfaatkan potensi…
This paper proposes a novel approach to Hamiltonian simulation using Decision Diagrams (DDs), which are an exact representation based on exploiting redundancies in representations of quantum states and operations. While the simulation of…
We present solidfmm, a highly optimised C++ library for the solid harmonics as they are needed in fast multipole methods. The library provides efficient, vectorised implementations of the translation operations M2M, M2L, and L2L, and is…
We discuss classical and quantum computations in terms of corresponding Hamiltonian dynamics. This allows us to introduce quantum computations which involve parallel processing of both: the data and programme instructions. Using mixed…