相关论文: Portably parallel construction of a CI wave functi…
The task of computing wavefunctions that are accurate, yet simple enough mathematical objects to use for reasoning has long been a challenge in quantum chemistry. The difficulty in drawing physical conclusions from a wavefunction is often…
Motivated by the increasing shift to multicore computers, recent work has developed language support for responsive parallel applications that mix compute-intensive tasks with latency-sensitive, usually interactive, tasks. These…
This work explores the ability of classical electronic structure methods to efficiently represent (compress) the information content of full configuration interaction (FCI) wave functions. We introduce a benchmark set of four hydrogen model…
In this work, we have developed a multiscale computational algorithm to couple finite element method with an open source molecular dynamics code --- the Large scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) --- to perform…
The development of polynomial cost solvers for correlated quantum impurity models, with controllable errors, is a central challenge in quantum many-body physics, where these models find applications ranging from nano-science to the…
We present a new method for the optimization of large configuration interaction (CI) expansions in the quantum Monte Carlo (QMC) framework. The central idea here is to replace the non-orthogonal variational optimization of CI coefficients…
The fluid antenna system (FAS) employs reconfigurable antennas for high spatial gains in compact spaces, enhancing physical layer flexibility. Channel state information (CSI) acquisition is vital for port selection and FAS optimization.…
Recent research has increasingly focused on reconciling the reasoning capabilities of System 2 with the efficiency of System 1. While existing training-based and prompt-based approaches face significant challenges in terms of efficiency and…
This work explores the representation of univariate and multivariate functions as matrix product states (MPS), also known as quantized tensor-trains (QTT). It proposes an algorithm that employs iterative Chebyshev expansions and Clenshaw…
Massive multiple-input multiple-output (mMIMO) antenna systems and inter-band carrier aggregation (CA)-enabled multi-band communication are two key technologies to achieve very high data rates in beyond fifth generation (B5G) wireless…
Balancing the workload of sophisticated simulations is inherently difficult, since we have to balance both computational workload and memory footprint over meshes that can change any time or yield unpredictable cost per mesh entity, while…
An iterative coupling algorithm based on restricted additive Schwarz domain decomposition is investigated to co-simulate electrical circuits with hybrid electromagnetic (EMT) and transient stability (TS) modeled using dynamic phasors. This…
Designing scalable, noise-tolerant control protocols for multipartite entanglement is a central challenge for quantum technologies, and it naturally calls for \emph{algorithmic} synthesis of interaction parameters rather than handcrafted…
We describe a matrix product state (MPS) extension for the Fermionic Quantum Emulator (FQE) software library. We discuss the theory behind symmetry adapted matrix product states for approximating many-body wavefunctions of spin-1/2…
Hybrid massive MIMO structures with reduced hardware complexity and power consumption have been widely studied as a potential candidate for millimeter wave (mmWave) communications. Channel estimators that require knowledge of the array…
Ultrafast dynamics in chemical systems provide a unique access to fundamental processes at the molecular scale. A proper description of such systems is often very challenging because of the quantum nature of the problem. The concept of…
Despite the various research initiatives and proposed programming models, efficient solutions for parallel programming in HPC clusters still rely on a complex combination of different programming models (e.g., OpenMP and MPI), languages…
We develop an Evolutionary Markov Chain Monte Carlo (EMCMC) algorithm for sampling spatial partitions that lie within a large and complex spatial state space. Our algorithm combines the advantages of evolutionary algorithms (EAs) as…
In this paper, we investigate the joint device activity and data detection in massive machine-type communications (mMTC) with a one-phase non-coherent scheme, where data bits are embedded in the pilot sequences and the base station…
Large-scale HPC simulations of plasma dynamics in fusion devices require efficient parallel I/O to avoid slowing down the simulation and to enable the post-processing of critical information. Such complex simulations lacking parallel I/O…