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We briefly describe the Poor Man's Supercomputer (PMS) project carried out at Eotvos University, Budapest. The goal was to develop a cost effective, scalable, fast parallel computer to perform numerical calculations of physical problems…
The integration of experiment technologies with large language models (LLMs) is transforming scientific research, offering AI capabilities beyond specialized problem-solving to becoming research assistants for human scientists. In power…
We present an open source Python 3 library aimed at practitioners of molecular simulation, especially Monte Carlo simulation. The aims of the library are to facilitate the generation of simulation data for a wide range of problems; and to…
Gauge field theories play a central role in modern physics and are at the heart of the Standard Model of elementary particles and interactions. Despite significant progress in applying classical computational techniques to simulate gauge…
This article presents some aspects and experience in the use of algebraic manipulation software applied to general relativity. Some years ago certain results were reported using computer algebra platforms, but the growing popularity of…
Cyber-Physical Systems (CPS) integrate digital technologies with physical processes and are common in different domains and industries, such as robotic systems, autonomous vehicles or satellites. Debugging and verification of CPS software…
The Adaptive Poisson-Boltzmann Solver (APBS) software was developed to solve the equations of continuum electrostatics for large biomolecular assemblages that has provided impact in the study of a broad range of chemical, biological, and…
The physics of high-energy colliders relies on the knowledge of different non-perturbative parton correlators, such as parton distribution functions, that encode the information on universal hadron structure and are thus the main building…
Turning the current experimental plasma accelerator state-of-the-art from a promising technology into mainstream scientific tools depends critically on high-performance, high-fidelity modeling of complex processes that develop over a wide…
We describe a C++ program that we have written and made available for calculating the evolution of interacting scalar fields in an expanding universe. The program is particularly useful for the study of reheating and thermalization after…
We establish efficient algorithms for weakly-interacting quantum spin systems at arbitrary temperature. In particular, we obtain a fully polynomial-time approximation scheme for the partition function and an efficient approximate sampling…
Quantum computing systems depend on the principles of quantum mechanics to perform multiple challenging tasks more efficiently than their classical counterparts. In classical software engineering, the software life cycle is used to document…
We present Apertus, a fully open suite of large language models (LLMs) designed to address two systemic shortcomings in today's open model ecosystem: data compliance and multilingual representation. Unlike many prior models that release…
The primary goal of the EuroHPC JU project SCALABLE is to develop an industrial Lattice Boltzmann Method (LBM)-based computational fluid dynamics (CFD) solver capable of exploiting current and future extreme scale architectures, expanding…
Trading fidelity for scale enables approximate classical simulators such as matrix product states (MPS) to run quantum circuits beyond exact methods. A control parameter, the so-called bond dimension $\chi$ for MPS, governs the allocated…
Artificial-intelligence (AI) agent frameworks have been developed for autonomous scientific simulations, but most current agent frameworks are tailored to a single or a small set of software packages. Herein, FermiLink, a unified and…
Large language models (LLMs) are rapidly transforming materials science. This review examines recent LLM applications across the materials discovery pipeline, focusing on three key areas: mining scientific literature , predictive modelling,…
We explain how to implement, in the context of projected entangled-pair states (PEPS), the general procedure of fermionization of a tensor network introduced in [P. Corboz, G. Vidal, Phys. Rev. B 80, 165129 (2009)]. The resulting fermionic…
High-fidelity quantum simulations demand hardware-software co-design architectures, which are crucial for adapting to complex problems such as strongly correlated dynamics in condensed matter. By leveraging co-design strategies, we can…
Numerical modeling of fermionic many-body quantum systems presents similar challenges across various research domains, necessitating universal tools, including state-of-the-art machine learning techniques. Here, we introduce SOLAX, a Python…