Related papers: mkite: A distributed computing platform for high-t…
We present $\texttt{SIMULATeQCD}$, HotQCD's software for performing lattice QCD calculations on GPUs. Started in late 2017 and intended as a full replacement of the previous single GPU lattice QCD code used by the HotQCD collaboration, our…
In the last decade, many business applications have moved into the cloud. In particular, the "database-as-a-service" paradigm has become mainstream. While existing multi-tenant data management systems focus on single-tenant query…
The strategic demand for quantum hardware currently outpaces the availability of near-term devices, necessitating high-performance software emulators to validate novel protocols. We introduce Hyperion, a massively parallel, GPU-accelerated…
In this paper we announce the public release of a massively-parallel, GPU-accelerated software, which is the first to combine both coarse-grained molecular dynamics and field-theoretical simulations in one simulation package. MATILDA.FT…
Motivation: Recent advances in single-cell analysis have introduced new computational challenges. Researchers often need to use multiple analysis tools written in different programming languages while managing version conflicts between…
Partial Differential Equations (PDEs) are fundamental for modeling physical systems, yet solving them in a generic and efficient manner using machine learning-based approaches remains challenging due to limited multi-input and multi-scale…
We present Qiskit Machine Learning (ML), a high-level Python library that combines elements of quantum computing with traditional machine learning. The API abstracts Qiskit's primitives to facilitate interactions with classical simulators…
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…
The Simulation Environment for Atomistic and Molecular Modeling (SEAMM) is an open-source software package written in Python that provides a graphical interface for setting up, executing, and analyzing molecular and materials simulations.…
Fueled by recent accomplishments in quantum computing hardware and software, an increasing number of problems from various application domains are being explored as potential use cases for this new technology. Similarly to classical…
Molecular dynamics is widely used to study various phenomena, such as diffusion, shock wave propagation, and plasma dynamics. A wide range of software packages supports the expanding scope of molecular dynamics applications. However, the…
Molecular simulation is a scientific tool dealing with challenges in material science and biology. This is reflected in a permanent development and enhancement of algorithms within scientific simulation packages. Here, we present…
Processing cores and the accompanying main memory working in tandem enable the modern processors. Dissipating heat produced from computation, memory access remains a significant problem for processors. Therefore, processor thermal…
Simulation has become the evaluation method of choice for many areas of distributing computing research. However, most existing simulation packages have several limitations on the size and complexity of the system being modeled. Fine…
We present a distributed algorithm and implementation of the variational quantum eigensolver (VQE), termed distributed VQE (DVQE). DVQE, provided as an open-source Python package, enables the execution of parameterized quantum circuits…
Quantum Imaginary-Time Evolution (QITE) is a powerful method for preparing ground states on quantum hardware. However, executing QITE has costly measurement budgets for general Hamiltonians. Both fidelity and computational cost are strongly…
Writing high performance solvers for engineering applications is a delicate task. These codes are often developed on an application to application basis, highly optimized to solve a certain problem. Here, we present our work on developing a…
High-level synthesis (HLS) has enabled the rapid development of custom hardware circuits for many software applications. However, developing high-performance hardware circuits using HLS is still a non-trivial task requiring expertise in…
This paper describes HyperStream, a large-scale, flexible and robust software package, written in the Python language, for processing streaming data with workflow creation capabilities. HyperStream overcomes the limitations of other…
We introduce a novel open-source software package QForte, a comprehensive development tool for new quantum simulation algorithms. QForte incorporates functionality for handling molecular Hamiltonians, fermionic encoding, ansatz…