Related papers: Continuum multi-physics modeling with scripting la…
We show that the time evolution of the wave function of a quantum mechanical many particle system can be implemented very efficiently on a quantum computer. The computational cost of such a simulation is comparable to the cost of a…
The Visual Physics Analysis (VISPA) project integrates different aspects of physics analyses into a graphical development environment. It addresses the typical development cycle of (re-)designing, executing and verifying an analysis. The…
Structure-based virtual screening must address a combinatorial explosion arising from up to 10^60 drug-like molecules, multiple conformations of proteins and ligands, and all possible spatial translations and rotations of ligands within the…
Many theories of quantum gravity can be understood as imposing a minimum length scale the signatures of which can potentially be seen in precise table top experiments. In this work we inspect the capacity for correlated many body systems to…
The phase-field method has become a useful tool for the simulation of classical metallurgical phase transformations as well as other phenomena related to materials science. The thermodynamic consistency that forms the basis of these…
Simulation is a foundational tool for the analysis and testing of cyber-physical systems (CPS), underpinning activities such as algorithm development, runtime monitoring, and system verification. As CPS grow in complexity and scale,…
MuSim is a new user-friendly program designed to interface to many different particle simulation codes, regardless of their data formats or geometry descriptions. It presents the user with a compelling graphical user interface that includes…
We present a scheme to efficiently simulate, with a classical computer, the dynamics of multipartite quantum systems on which the amount of entanglement (or of correlations in the case of mixed-state dynamics) is conveniently restricted.…
Simulation of the time-dynamics of fermionic many-body systems has long been predicted to be one of the key applications of quantum computers. Such simulations -- for which classical methods are often inaccurate -- are critical to advancing…
Physics-based simulations typically operate with a combination of complex differentiable equations and many scientific and geometric inputs. Our work involves gathering data from those simulations and seeing how well tree-based machine…
We develop a Python-based open-source package to analyze the results stemming from ab initio molecular-dynamics simulations of fluids. The package is best suited for applications on natural systems, like silicate and oxide melts,…
As cosmological simulations and their associated software become increasingly complex, physicists face the challenge of searching through vast amounts of literature and user manuals to extract simulation parameters from dense academic…
Simulation of quantum systems is notoriously challenging for classical computers, while quantum hardware is naturally well-suited for this task. However, the imperfections of contemporary quantum systems poses a considerable challenge in…
NWQ-Sim is a cutting-edge quantum system simulation environment designed to run on classical multi-node, multi-CPU/GPU heterogeneous HPC systems. In this work, we provide a brief overview of NWQ-Sim and its implementation in simulating…
We present a derivation of the effect of the classical field configuration to the diffusion equations. Using the formalism of the thermo field dynamics we propose a systematic and consistent way to treat the classical background and to…
We propose a runtime architecture that can be used in the development of a quantum programming language and its programming environment. The proposed runtime architecture enables dynamic interaction between classical and quantum data…
In this chapter, we discuss recent advances and new opportunities through methods of machine learning for the field of classical density functional theory, dealing with the equilibrium properties of thermal nano- and micro-particle systems…
Spin models are used in many studies of complex systems---be it condensed matter physics, neural networks, or economics---as they exhibit rich macroscopic behaviour despite their microscopic simplicity. Here we prove that all the physics of…
Large Language Models (LLMs) are unable to reliably reason about specific physical systems. Attempts to imbue LLMs with knowledge of the necessary physics concepts have shown great promise, but explainability and validation remain open…
Recently developed quantum algorithms suggest that in principle, quantum computers can solve problems such as simulation of physical systems more efficiently than classical computers. Much remains to be done to implement these conceptual…