Related papers: UMAT4COMSOL: An Abaqus user material (UMAT) subrou…
QNMnonreciprocal_resonators is an extension (posted in 2021) of the QNMEig solver of the freeware package MAN. It provides a comprehensive presentation of the computation and normalization of electromagnetic quasinormal modes (QNMs) of…
To facilitate rational molecular and materials design, this research proposes an integrated computational framework that combines stochastic simulation, ab initio quantum chemistry, and molecular docking. The suggested workflow allows…
The Institute for Solid State Physics (ISSP) at The University of Tokyo has been carrying out a software development project named ``the Project for Advancement of Software Usability in Materials Science (PASUMS)". Since the launch of…
This paper presents the implementation of the eXtended Finite Element Method (XFEM) in the general-purpose commercial software package COMSOL Multiphysics for multi-field thermo-hydro-mechanical problems in discontinuous porous media. To…
Joint image-text embedding is the bedrock for most Vision-and-Language (V+L) tasks, where multimodality inputs are simultaneously processed for joint visual and textual understanding. In this paper, we introduce UNITER, a UNiversal…
The astrophysics community uses different tools for computational tasks such as complex systems simulations, radiative transfer calculations or big data. Programming languages like Fortran, C or C++ are commonly present in these tools and,…
We present AutoformBot, a multi-agent system for building an Autoformalized Textbook Library At Scale (Atlas) in Lean 4. AutoformBot orchestrates thousands of LLM agents, equipped with formal verification tools, dependency-aware task…
This paper presents an open-source MATLAB/Simulink physics simulator for rigid-body articulated systems, including manipulators and floating-base robots. Thanks to MATLAB/Simulink features like MATLAB system classes and Simulink function…
The topic of provable deep neural network robustness has raised considerable interest in recent years. Most research has focused on adversarial robustness, which studies the robustness of perceptive models in the neighbourhood of particular…
We employ constrained path Auxiliary Field Quantum Monte Carlo (AFQMC) in the pursuit of studying physical nuclear systems using a lattice formalism. Since AFQMC has been widely used in the study of condensed-matter systems such as the…
We report on the fault-tolerant operation of logical qubits on a neutral atom quantum computer, with logical performance surpassing physical performance for multiple circuits including Bell states (12x error reduction), random circuits…
The ability to quickly and accurately compute properties from atomic simulations is critical for advancing a large number of applications in chemistry and materials science including drug discovery, energy storage, and semiconductor…
Atomistic simulations are essential tools in chemistry and materials science, accelerating the discovery of novel catalysts, energy storage materials, and pharmaceuticals. However, running these simulations remains challenging due to the…
Materials science datasets are inherently heterogeneous and are available in different modalities such as characterization spectra, atomic structures, microscopic images, and text-based synthesis conditions. The advancements in multi-modal…
Metasurfaces enable flat optical elements by leveraging optical resonances in metallic or dielectric nanoparticles to obtain accurate control over the amplitude and phase of the scattered light. While highly efficient, these resonances are…
MATLAB/Simulink is widely used for model-based design. Engineers create Simulink models and compile them to embedded code, often to control safety-critical cyber-physical systems in automotive, aerospace, and healthcare applications.…
Quantum simulations is a promising field where a controllable system is used to mimic another system of interest, whose properties one wants to investigate. One of the key issues for such simulations is the ability to control the…
Metamaterials, artificially structured electromagnetic (EM) materials, have enabled the realization of many unconventional electromagnetic properties not found in nature, such as negative refractive index, magnetic response, invisibility…
QuaRT is a Python library for quantum simulation of radiative transfer in astrophysical and cosmological problems. It features a novel angular redistribution methodology for lattice Boltzmann methods which improves the isotropy of…
Quantum operations on pure states can be fully represented by unitary matrices. Variational quantum circuits, also known as quantum neural networks, embed data and trainable parameters into gate-based operations and optimize the parameters…