Related papers: Hyper-Systolic Processing on APE100/Quadrics: N^2-…
Non-adiabatic molecular dynamics (NAMD) simulations have become an indispensable tool for investigating excited-state dynamics in solids. In this work, we propose a general framework, N$^2$AMD which employs an E(3)-equivariant deep neural…
An enduring challenge in computer science is reducing the runtime required to solve computational problems. Quantum computing has attracted significant attention due to its potential to deliver asymptotically faster solutions to certain…
In this paper, we present a parallel computing method for the coupled-cluster singles and doubles (CCSD) in periodic systems. The CCSD in periodic systems solves simultaneous equations for single-excitation and double-excitation amplitudes.…
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…
Quantum simulation enables study of many-body systems in non-equilibrium by mapping to a controllable quantum system, providing a new tool for computational intractable problems. Here, using a programmable quantum processor with a chain of…
The real-time evolution of strongly interacting matter remains a frontier of fundamental physics, as classical simulations are hampered by exponential Hilbert space growth and rapid, unmanageable growth of quantum entanglement. This study…
Symplectic N-body integrators are widely used to study problems in celestial mechanics. The most popular algorithms are of 2nd and 4th order, requiring 2 and 6 substeps per timestep, respectively. The number of substeps increases rapidly…
A proposal for a magnetic quantum processor that consists of individual molecular spins coupled to superconducting coplanar resonators and transmission lines is carefully examined. We derive a simple magnetic quantum electrodynamics…
Efficient computation of molecular energies is an exciting application of quantum computing for quantum chemistry, but current noisy intermediate-scale quantum (NISQ) devices can only execute shallow circuits, limiting existing variational…
Particle-in-Cell (PIC) simulations are fundamental to plasma physics but often suffer from limited scalability due to particle-grid interaction bottlenecks and particle redistribution costs. Specifically, the particle-grid interaction…
The digital version of adiabatic quantum computing enhanced by counterdiabatic driving, known as digitized counterdiabatic quantum computing, has emerged as a paradigm that opens the door to fast and low-depth algorithms. In this work, we…
We consider the simulation of interacting high-dimensional systems using pairwise interacting qubits. The main tool in this context is the generation of effective many-body interactions, and we examine a number of different protocols for…
We review the recent optimizations of gravitational $N$-body kernels for running them on graphics processing units (GPUs), on single hosts and massive parallel platforms. For each of the two main $N$-body techniques, direct summation and…
The exact evaluation of the molecular ground state in quantum chemistry requires an exponentially increasing computational cost. Quantum computation is a promising way to overcome the exponential problem using polynomial-time quantum…
We identify the dominant computational cost within the recently introduced stochastic and internally contracted FCIQMC-NEVPT2 method for large active space sizes. This arises from the contribution to the four-body intermediates arising from…
The main problem is to understand and to find periodic symmetric orbits in the $n$-body problem, in the sense of finding methods to prove or compute their existence, and more importantly to describe their qualitative and quantitative…
A pivotal task for quantum computing is to speed up solving problems that are both classically intractable and practically valuable. Among these, combinatorial optimization problems have attracted tremendous attention due to their broad…
Some iterative calculations can be carried out by parallel communicating processors, and yield the same results whether or not the processors are synchronized. We show that this is the case if and only if the iteration is a contraction that…
We study the scalability of consensus-based distributed optimization algorithms by considering two questions: How many processors should we use for a given problem, and how often should they communicate when communication is not free?…
The Hiperwalk package is designed to facilitate the simulation of quantum walks using heterogeneous high-performance computing, taking advantage of the parallel processing power of diverse processors such as CPUs, GPUs, and acceleration…