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Machine learning force fields (MLFFs) are an increasingly popular choice for atomistic simulations due to their high fidelity and improvable nature. Here, we propose a hybrid small-cell approach that combines attributes of both offline and…

Computational Physics · Physics 2023-06-02 Yu Luo , Jason A. Meziere , German D. Samolyuk , Gus L. W. Hart , Mark R Daymond , Laurent Karim Béland

The aim of the workshop series Developments in Computational Models (DCM) is to bring together researchers who are currently developing new computational models or new features for traditional computational models, in order to foster their…

Logic in Computer Science · Computer Science 2014-04-01 Benedikt Löwe , Glynn Winskel

A software system named AutoMRISimQA was developed to monitor the daily performance of a wide-bore 3T scanner(MRI) which was designed and dedicated to radiotherapy simulation. The system can monitor the performance of the MRI simulator not…

An overview of computational methods to describe high-dimensional potential energy surfaces suitable for atomistic simulations is given. Particular emphasis is put on accuracy, computability, transferability and extensibility of the methods…

Chemical Physics · Physics 2020-07-08 Oliver T. Unke , Debasish Koner , Sarbani Patra , Silvan Käser , Markus Meuwly

Distributed quantum computing (DQC) is a promising proposal for overcoming the scalability challenges of quantum computing. However, the evaluation of DQC hardware and software is difficult due to the relative dearth of classical simulation…

Quantum Physics · Physics 2026-04-16 Kenny Campbell

This paper presents RDCSim, an interactive simulator for reaction--diffusion chemistry (RDC) research, being developed as part of an ongoing project studying how humans interact with unconventional computing systems. While much research…

Emerging Technologies · Computer Science 2019-01-23 James Stovold

We present a software tool -- extended Dynamic Causal Modelling for Phase Coupling (eDCM PC) -- that is able to estimate effective connectivity between any kind of oscillating systems, e.g. distant brain regions, using the phase information…

Data Analysis, Statistics and Probability · Physics 2023-07-06 Azamat Yeldesbay , Silvia Daun

In this paper we report on a novel simulation tool designed for the 3D coupled electro-thermal simulation of Smart Power Mosfets, that is a tool capable of taking into account not only the electrical (and thermal) behaviour of the power…

Materials Science · Physics 2007-09-13 G. Buonaiuto , A. Irace , G. Breglio , P. Spirito

State-of-the-art digital circuit design tools almost exclusively rely on pure and inertial delay for timing simulations. While these provide reasonable estimations at very low execution time in the average case, their ability to cover…

Other Computer Science · Computer Science 2021-07-20 Jürgen Maier

Violation of Mermin inequalities is tested on the 5-qubit IBM quantum computer. For 3, 4 and 5 parties, quantum states that violate the corresponding Mermin inequalities are constructed using quantum circuits on superconducting qubits.…

Quantum Physics · Physics 2016-07-13 Daniel Alsina , José Ignacio Latorre

Digital MemComputing machines (DMMs), which employ nonlinear dynamical systems with memory (time non-locality), have proven to be a robust and scalable unconventional computing approach for solving a wide variety of combinatorial…

Emerging Technologies · Computer Science 2024-07-16 Yuan-Hang Zhang , Massimiliano Di Ventra

Simulations with high accuracy are an essential part of scientific research to accelerate the innovation process. They are especially useful for finding novel approaches or optimizing existing methods. Today, powerful software tools are…

Medical Physics · Physics 2022-08-31 Patrick Vogel , Martin A. Rückert , Thomas Kampf , Volker C. Behr

Reservoir computing with optical devices offers an energy-efficient approach for time-series forecasting. Quantum dot lasers with feedback are modelled in this paper to explore the extent to which increased complexity in the charge carrier…

Computational Physics · Physics 2024-11-05 Huifang Dong , Lina Jaurigue , Kathy Lüdge

Simulation especially real-time simulation have been widely used for the design and testing of real-time systems. The advancement of simulation tools has largely attributed to the evolution of computing technologies. With the reduced cost…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-05-07 Xi Zheng

This paper introduces the FermiFab toolbox for many-particle quantum systems. It is mainly concerned with the representation of (symbolic) fermionic wavefunctions and the calculation of corresponding reduced density matrices (RDMs). The…

Quantum Physics · Physics 2012-08-01 Christian B. Mendl

A Time Projection Chamber (TPC) using micro-pattern gas detectors is planned as the main tracking device for a detector at the next Linear Collider. A novel support structure for Gas Electron Multipliers (GEMs), which minimizes the material…

Instrumentation and Detectors · Physics 2015-06-17 T. Behnke , F. Müller , A. Münnich , K. Zenker

This paper validates 3D simulation results of electron beam melting (EBM) processes comparing experimental and numerical data. The physical setup is presented which is discretized by a three dimensional (3D) thermal lattice Boltzmann method…

Computational Engineering, Finance, and Science · Computer Science 2014-02-12 Regina Ammer , Matthias Markl , Vera Jüchter , Carolin Körner , Ulrich Rüde

In this paper we present an advanced numerical method to simulate a real life challenging industrial problem that consists of the non-destructive testing in steam generators. We develop a finite element technique that handles the big data…

Numerical Analysis · Mathematics 2016-02-11 Mohamed Kamel Riahi

With the increasing size of quantum processors, sub-modules that constitute the processor hardware will become too large to accurately simulate on a classical computer. Therefore, one would soon have to fabricate and test each new design…

A summary of recent developments in the field of simulation algorithms for dynamical fermions is given.

High Energy Physics - Lattice · Physics 2009-10-28 Karl Jansen