相关论文: Instruction of my personal computing library

In this paper, we present the StarNEig library for solving dense non-symmetric (generalized) eigenvalue problems. The library is built on top of the StarPU runtime system and targets both shared and distributed memory machines. Some…

Bosonic quantum systems operate in an infinite-dimensional Hilbert space, unlike discrete-variable quantum systems. This distinct mathematical structure leads to fundamental differences in quantum information processing, such as an…

We proposed a distributed approximating functional method for efficiently describing the electronic dynamics in atoms and molecules in the presence of the Coulomb singularities, using the kernel of a grid representation derived by using the…

The development of new electronic structure methods is a very time consuming and error prone process when done by hand. SpinAdaptedSecondQuantization is an open-source Julia package we have developed for working with automated electronic…

Mathematical operators whose transformation rules constitute the building blocks of a multi-linear algebra are widely used in physics and engineering applications where they are very often represented as tensors. In the last century, thanks…

An open-source middleware EigenKernel was developed for use with parallel generalized eigenvalue solvers or large-scale electronic state calculation to attain high scalability and usability. The middleware enables the users to choose the…

We investigate a $D$ dimensional generalization of the Schroedinger-Newton equations, which purport to describe quantum state reduction as resulting from gravitational effects. For a single particle, the system is a combination of the…

We present a new library designed to provide a simple and straightforward way to implement QM/AMOEBA and other polarizable QM/MM methods based on induced point dipoles. The library, herein referred to as OpenMMPol, is free and open-sourced…

We propose the QHyper library, which is aimed at researchers working on computational experiments with a variety of quantum combinatorial optimization solvers. The library offers a simple and extensible interface for formulating…

A PCA-based, machine learning version of the SPH method is proposed. In the present scheme, the smoothing tensor is computed to have their eigenvalues proportional to the covariance's principal components, using a modified octree data…

Since a pure quantum system is incapable of faithfully simulating the solutions of the Schroedinger equation that actually pertains to itself, it is proposed that quantum computing technology (as opposed to cryptographic technology) not be…

Spiking neural networks (SNNs) have been recently brought to light due to their promising capabilities. SNNs simulate the brain with higher biological plausibility compared to previous generations of neural networks. Learning with fewer…

We develop a modified semi-classical approach to the approximate solution of Schrodinger's equation for certain nonlinear quantum oscillations problems. At lowest order, the Hamilton-Jacobi equation of the conventional semi-classical…

We present an open-source tensor network Python library for quantum many-body simulations. At its core is an abelian-symmetric tensor, implemented as a sparse block structure managed by logical layer on top of dense multi-dimensional array…

Employing the phase-space representation of second order ordinary differential equations we developed a method to find the eigenvalues and eigenfunctions of the 1-dimensional time independent Schr\"odinger equation for quantum model…

We report on our experiences exploring state of the art Groebner basis computation. We investigate signature based algorithms in detail. We also introduce new practical data structures and computational techniques for use in both signature…

A number of authors have proposed stochastic versions of the Schr\"odinger equation, either as effective evolution equations for open quantum systems or as alternative theories with an intrinsic collapse mechanism. We discuss here two…

The first part of this paper explains what super-integrability is and how it differs in the classical and quantum cases. This is illustrated with an elementary example of the resonant harmonic oscillator. For Hamiltonians in "natural form",…

This paper presents a novel and efficient approach for the computation of energy eigenvalues in quantum semiconductor heterostructures. Accurate determination of the electronic states in these heterostructures is crucial for understanding…

TSIL is a library of utilities for the numerical calculation of dimensionally regularized two-loop self-energy integrals. A convenient basis for these functions is given by the integrals obtained at the end of O.V. Tarasov's recurrence…