Related papers: Quadratic Scaling Bosonic Path Integral Molecular …
The usual path integral formulation for scalar particles at finite density involves a sign problem, making numerical simulation impractical. We present alternative methods free of this difficulty. We apply these approaches to phi^4 theory…
We explore how the fundamental problems in quantum molecular dynamics can be modelled using classical simulators (emulators) of quantum computers and the actual quantum hardware available to us today. The list of problems we tackle includes…
While thousands of experimental physicists and chemists are currently trying to build scalable quantum computers, it appears that simulation of quantum computation will be at least as critical as circuit simulation in classical VLSI design.…
Controllable bosonic systems can provide post-classical computational power with sub-universal quantum computational capability. A network that consists of a number of bosons evolving through beam-splitters and phase-shifters between…
A new approach to simulating warm and hot dense matter that combines density functional theory based calculations of the electronic structure to classical molecular dynamics simulations with pair interaction potentials is presented. The new…
An asymptotic analytical approach is proposed for bosonic probability amplitudes in unitary linear networks, such as the optical multiport devices for photons. The asymptotic approach applies for large number of bosons $N\gg M$ in the…
Based on the particle-in-cell (PIC) plasma simulation method, the speed-limited PIC (SLPIC) method delivers faster kinetic plasma simulation in cases where the particle distributions evolve slowly compared with the maximum stable PIC…
Quasistatic particle-in-cell (PIC) codes are increasingly employed to study laser or plasma wakefield accelerators. By decoupling the slow dynamics of the driver (a laser or ultrarelativistic particle beam) from the fast plasma response,…
We introduce an approximate phase-space technique to simulate the quantum dynamics of interacting bosons. With the future goal of treating Bose-Einstein condensate systems, the method is designed for systems with a natural separation into…
Periodically driven quantum systems can realize novel phases of matter that are not present in time-independent Hamiltonians. One important application is the engineering of synthetic gauge fields, which opens the realm of topological…
We present an accelerated ``on-the-fly'' coupled-cluster path-integral molecular dynamics (PIMD) method for finite-temperature simulations in which electron correlation and nuclear quantum effects are treated simultaneously. The approach is…
We report scaling results on the world's largest supercomputer of our recently developed Billions-Body Molecular Dynamics (BBMD) package, which was especially designed for massively parallel simulations of the atomic dynamics in structural…
The quantum many-body problem in condensed phases is often simplified using a quasiparticle description, such as effective mass theory for electron motion in a periodic solid. These approaches are often the basis for understanding many…
First-principles particle-in-cell (PIC) simulation is a powerful tool for understanding plasma behavior, but this power often comes at great computational expense. Artificially reducing the ion/electron mass ratio is a time-honored practice…
We present a novel Exchange Monte Carlo (EMC) method designed for application in continuous-space Path Integral Monte Carlo (PIMC) simulations at finite temperature. Traditional PIMC methods for bosonic systems suffer from long…
This paper presents a grid-free simulation algorithm for the fully three-dimensional Vlasov--Poisson system for collisionless electron plasmas. We employ a standard particle method for the numerical approximation of the distribution…
Chemical space which encompasses all stable compounds is unfathomably large and its dimension scales linearly with the number of atoms considered. The success of machine learning methods suggests that many physical quantities exhibit…
Quantum simulation of the interactions of fermions and bosons -- the fundamental particles of nature -- is essential for modeling complex quantum systems in material science, chemistry and high-energy physics and has been proposed as a…
Quantum harmonic oscillators, or qumodes, provide a promising and versatile framework for quantum computing. Unlike qubits, which are limited to two discrete levels, qumodes have an infinite-dimensional Hilbert space, making them…
Quantum walk represents one of the most promising resources for the simulation of physical quantum systems, and has also emerged as an alternative to the standard circuit model for quantum computing. Up to now the experimental…