Related papers: MiqroForge: An Intelligent Workflow Platform for Q…
In this paper, we summarize our effort to create and utilize a simple framework to coordinate computational analytics tasks with the help of a workflow system. Our design is based on a minimalistic approach while at the same time allowing…
We discuss a Quantum-Enhanced Computing Continuum, a heterogeneous, hybrid architecture that integrates quantum processing units (QPUs) within an Edge-Cloud-HPC fabric. Promote sustainability by shifting from performance to "energy-aware…
Quantum Chemistry (QC) is one of the most promising applications of Quantum Computing. However, present quantum processing units (QPUs) are still subject to large errors. Therefore, noisy intermediate-scale quantum (NISQ) hardware is…
To address the growing needs for scalable High Performance Computing (HPC) and Quantum Computing (QC) integration, we present our HPC-QC full stack framework and its hybrid workload development capability with modular…
Integrating quantum mechanics into drug discovery marks a decisive shift from empirical trial-and-error toward quantitative precision. However, the prohibitive cost of ab initio molecular dynamics has historically forced a compromise…
With the advance in quantum computing, quantum software becomes critical for exploring the full potential of quantum computing systems. Recently, quantum software engineering (QSE) becomes an emerging area attracting more and more…
Qudit-based quantum computation offers unique advantages over qubit-based systems in terms of noise mitigation capabilities as well as algorithmic complexity improvements. However, the software ecosystem for multi-state quantum systems is…
The search for meaningful structure in biological data has relied on cutting-edge advances in computational technology and data science methods. However, challenges arise as we push the limits of scale and complexity in biological problems.…
Quantum Computing (QC) is transitioning from theoretical frameworks to an indispensable powerhouse of computational capability, resulting in extensive adoption across both industrial and academic domains. QC presents exceptional advantages,…
Numerical algorithms and computational tools are instrumental in navigating and addressing complex simulation and data processing tasks. The exponential growth of metadata and parameter-driven simulations has led to an increasing demand for…
In recent years, interest in quantum computing has increased due to technological advances in quantum hardware and algorithms. Despite the promises of quantum advantage, the applicability of quantum devices has been limited to few qubits on…
Integrating Large Language Models (LLMs) with quantum computing is a critical challenge, hindered by the severe constraints of Noisy Intermediate-Scale Quantum (NISQ) devices, including barren plateaus and limited coherence. Current…
In recent years, the field of quantum computing has significantly developed in both the improvement of hardware as well as the assembly of various software tools and platforms, including cloud access to quantum devices. Unfortunately, many…
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…
Quantum computing has shown promise for solving complex optimization problems in databases, such as join ordering and index selection. Prior work often submits formulated problems directly to black-box quantum or quantum-inspired solvers…
We present a computational platform for modeling chemical reactions in complex molecular environments, focused on ligand-protein binding in drug discovery. The platform implements our new quantum-in-quantum-in-classical (QM/QM/MM)…
Recent computations involving quantum processing units (QPUs) have demonstrated a series of challenges inherent to hybrid classical-quantum programming, compilation, execution, and verification and validation. Despite considerable progress,…
With the prospect of automating a number of chemical tasks with high fidelity, chemical language processing models are emerging at a rapid speed. Here, we present a cloud-based real-time platform that allows users to virtually screen…
CHEMSMART (Chemistry Simulation and Modeling Automation Toolkit) is an open-source, Python-based framework designed to streamline quantum chemistry workflows for homogeneous catalysis and molecular modeling. By integrating job preparation,…
We present Qibo, a new open-source software for fast evaluation of quantum circuits and adiabatic evolution which takes full advantage of hardware accelerators. The growing interest in quantum computing and the recent developments of…