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computational physics

GeneTech 知识引擎共收录 161 篇相关科研实体，横跨 23 个垂直领域。数据来自 OpenAlex、arXiv、Crossref、PubMed、Europe PMC 等公开学术源，全部可溯源到原文。

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代表性文献（按质量分排序，前 60 条）

• Charge Conservation beyond Uniformity: Spatially Inhomogeneous Electromagnetic Response in Periodic Solids
  2024 · 量子材料 · Nonlinear electromagnetic response functions have reemerged as a crucial tool for studying quantum materials, due to recently appreciated connections between optical response functions, quantum geometry, and band topolog…
• Online Test-time Adaptation for Interatomic Potentials
  2025 · AI 驱动科学发现 · Introduction: There are two folders in this database for the paper Online Test-time Adaptation for Interatomic Potentials (arXiv:2405.08308), which introduce the method of test-time adaptation for interatomic potentials …
• Online Test-time Adaptation for Interatomic Potentials
  2025 · AI 驱动科学发现 · Introduction: There are two folders in this database for the paper Online Test-time Adaptation for Interatomic Potentials (arXiv:2405.08308), which introduce the method of test-time adaptation for interatomic potentials …
• Pre-equilibrium de-excitation of superheavy nuclei via muonic internal conversion
  2026 · 核能 · This repository contains the computational models, numerical datasets, high-resolution figures, and preprint manuscript associated with the study of Muonic Internal Conversion (MIC) as a pre-equilibrium de-excitation cha…
• The Landauer Wall: Thermodynamic Limits on Quantum and Nuclear Systems
  2026 · 核能 · When new information is learned, an ethical duty exists to analyze previous assumptions and update our understanding. As nuclear systems can be catastrophic if miscalculated, it is crucial to account for all safety aspec…
• The Landauer Wall: Thermodynamic Limits on Quantum and Nuclear Systems
  2026 · 核能 · When new information is learned, an ethical duty exists to analyze previous assumptions and update our understanding. As nuclear systems can be catastrophic if miscalculated, it is crucial to account for all safety aspec…
• Sawtooth crash in tokamak as a sequence of multi-region relaxed MHD equilibria
  2026 · 核能 · This study examines the sawtooth crash phenomenon in tokamak plasmas by modeling it as a sequence of multi-region relaxed magnetohydrodynamic (MRxMHD) equilibria. Using the stepped-pressure equilibrium code, we construct…
• Jacobi Constant Time Series for One Million Cislunar Orbits Derived via Volunteer Computing
  2026 · 空间计算 · Dataset DescriptionThis dataset provides the Jacobi constant time series for one million unique cislunar orbits, derived from the public "One Million Open-source Cislunar Orbits" dataset generated by Lawrence Livermore N…
• D1-D11 Dimensional Physics Simulator: M-Theory Stabilization and Fractal Correction Engine for 11-Dimensional Spacetime
  2026 · 空间计算 · # Fractal-Corrected D1-D11 Dimensional Physics Simulator: M-Theory Stabilization via Pi-Curvature Fractal Path Extraction **Authors:** Adam L McEvoy **Date:** March 2026 --- ## Abstract I present a comprehensive computat…
• Predicting the structure and performance of dye-sensitized solar cells by computational methods.
  2023 · 半导体与先进封装 · Dye-sensitized solar cells (DSCs) are a photovoltaic technology based around light-harvesting dye molecules bound to thin semiconductor films of high surface area. Many of the highest-performing DSCs to date incorporate …
• Advancing Heliophysics and Space Weather Modeling through Open Science
  2026 · 地外矿物 · We present a community-wide effort to develop a strategy and action plan to advance heliophysics and space weather modeling through open science. While open science has the potential to enhance the quality and pace of sc…
• Shaping the Digital Future of ErUM Research: Sustainability & Ethics
  2026 · 数字孪生 · This workshop report from "Shaping the Digital Future of ErUM Research: Sustainability & Ethics" (Aachen, 2025) reviews progress on sustainability measures in data-intensive ErUM-Data research since the 2023 call-to-…
• Machine Learning of Quantum Entanglement from Noisy Measurements
  2026 · 量子材料 · In this work, we investigate the application of Machine Learning (ML) algorithms to the identification and quantitative characterization of quantum entanglement in polarization-entangled photon pairs. The analysis is bas…
• Coupled reaction and diffusion governing interface evolution in solid-state batteries
  2025 · 新能源 · Understanding and controlling the atomistic-level reactions governing the formation of the solid-electrolyte interphase (SEI) is crucial for the viability of next-generation solid state batteries. However, challenges per…
• The Integral Decimation Method for Quantum Dynamics and Statistical Mechanics
  2025 · 量子计算 · The solutions to many problems in the mathematical, computational, and physical sciences often involve multidimensional integrals. A direct numerical evaluation of the integral incurs a computational cost that is exponen…
• Magnetic islands under the influence of heating and current
  2017 · 核能 · This is an invited talk given at the annual UKMHD Meeting, which took place at Durham University, 20-21 April 2017. The talk was entitled "Magnetic islands under the influence of heating and current". Abstract: Magnetic …
• Assessment of the computational uncertainty of temperature rise and SAR in the eyes and brain under far-field exposure from 1 to 10 GHz
  2009 · 仿生智能 · This paper presents finite-difference time-domain (FDTD) calculations of specific absorption rate (SAR) values in the head under plane-wave exposure from 1 to 10 GHz using a resolution of 0.5 mm in adult male and female …
• First-principles computational methods for quantum defects in two-dimensional materials: A perspective
  2024 · 量子材料 · Quantum defects are atomic defects in materials that provide resources to construct quantum information devices such as single-photon emitters (SPEs) and spin qubits. Recently, two-dimensional (2D) materials gained promi…
• Enhanced Sampling with Machine Learning: A Review
  2023 · AI 安全与对齐 · Molecular dynamics (MD) enables the study of physical systems with excellent spatiotemporal resolution but suffers from severe time-scale limitations. To address this, enhanced sampling methods have been developed to imp…
• Quantum Next Generation Reservoir Computing: An Efficient Quantum Algorithm for Forecasting Quantum Dynamics
  2023 · 量子计算 · Next Generation Reservoir Computing (NG-RC) is a modern class of model-free machine learning that enables an accurate forecasting of time series data generated by dynamical systems. We demonstrate that NG-RC can accurate…
• LARA: Validation-Driven Agentic Supercomputer Workflows for Atomistic Modeling
  2026 · AI Agent 生态 · Large language models (LLMs) and agentic systems have recently demonstrated potential for automating scientific workflows, including atomistic simulations. However, their deployment in high-performance computing (HPC) en…
• Variable Emissivity Modeling for Sustainable Lunar Surface Habitats
  2026 · 地外矿物 · Lunar habitats will be one of the first platforms to enable long-term human presence beyond Low Earth Orbit. These structures act as a stepping stone for exploring our solar system while simultaneously enabling lunar res…
• Multiscale Assessment of Tritium Behavior in Preliminary Fusion Pilot Plant Design Using Surrogate Models in TMAP8
  2026 · 核能 · The complexity and significance of multiscale phenomena in fusion energy systems make advanced modeling necessary for designing, optimizing, and safely deploying fusion plants. Tritium accountancy is one of those challen…
• Learning time-dependent and integro-differential collision operators from plasma phase space data using differentiable simulators
  2026 · 核能 · Collisional and stochastic wave-particle dynamics in plasmas far from equilibrium are complex, temporally evolving, stochastic processes which are challenging to model. In this work, we extend previous methods coupling d…
• Learning collision operators from plasma phase space data using differentiable simulators
  2026 · 核能 · We propose a methodology to infer collision operators from phase space data of plasma dynamics. Our approach combines a differentiable kinetic simulator, whose core component in this work is a differentiable Fokker-Planc…
• The Quantum Hamiltonian Analysis Toolkit: Lowering the Barrier to Quantum Computing with Hamiltonians
  2026 · 量子材料 · We present the Quantum Hamiltonian Analysis Toolkit (QHAT), a newly developed application that provides a user-friendly interface for studying Hamiltonians and performing Hamiltonian simulation on fault-tolerant quantum …
• Pseudo-spectral frequency-domain method with background field decomposition and Green's function preconditioner for electromagnetic scattering problem in EUV lithography
  2026 · 半导体与先进封装 · We provide an accelerated computational framework to solve electromagnetic scattering problems in planarly layered media arising from extreme ultraviolet (EUV) lithography. To achieve this, we reformulate the EUV scatter…
• Accurate Reduced Floating-Point Precision Implicit Monte Carlo
  2025 · 智慧农业 · This work describes methodologies to successfully implement the Implicit Monte Carlo (IMC) scheme for thermal radiative transfer in reduced-precision floating-point arithmetic. The methods used can be broadly categorized…
• FAST: A Future Aircraft Sizing Tool for Advanced Aircraft and Propulsion System Design
  2025 · 低空经济 · Without radical technological advancements, the global aviation industry will continue to be a major carbon emitter. To reduce aviation's carbon emissions, innovative aircraft technology, including electrified aircraft p…
• Quantum generative adversarial networks for gluon initiated jets generation
  2025 · 量子材料 · Quantum computing has the potential to offer significant advantages over classical computing, making it a promising avenue for exploring alternative methods in High Energy Physics (HEP) simulations. This work presents th…
• Truncated Variational Hamiltonian Ansatz: efficient quantum circuit design for quantum chemistry and material science
  2025 · 量子材料 · Quantum computing has the potential to revolutionize quantum chemistry and material science by offering solutions to complex problems unattainable with classical computers. However, the development of efficient quantum a…
• DDNet: A Unified Physics-Informed Deep Learning Framework for Semiconductor Device Modeling
  2025 · 半导体与先进封装 · The accurate modeling of semiconductor devices plays a critical role in the development of new technology nodes and next-generation devices. Semiconductor device designers largely rely on advanced simulation software to …
• AI-Augmented Photon-Trapping Spectrometer-on-a-Chip on Silicon Platform with Extended Near-Infrared Sensitivity
  2025 · 半导体与先进封装 · We present a compact, noise-resilient reconstructive spectrometer-on-a-chip that achieves high-resolution hyperspectral imaging across an extended near-infrared (NIR) range up to 1100nm. The device integrates monolithica…
• Prediction of Alpha-Particle-Immune Gate-All-Around Field-Effect Transistors (GAA-FET) Based SRAM Design
  2025 · 半导体与先进封装 · In this paper, using 3D Technology Computer-Aided-Design (TCAD) simulations, we show that it is possible to design a static random-access memory (SRAM) using gate-all-around field-effect-transistor (GAA-FET) technology s…
• The 2D Materials Roadmap
  2025 · 合成生物与生物制造 · Over the past two decades, 2D materials have rapidly evolved into a diverse and expanding family of material platforms. Many members of this materials class have demonstrated their potential to deliver transformative imp…
• Graph neural network for colliding particles with an application to sea ice floe modeling
  2026 · 地外矿物 · This paper introduces a novel approach to sea ice modeling using Graph Neural Networks (GNNs), utilizing the natural graph structure of sea ice, where nodes represent individual ice pieces, and edges model the physical i…
• Graph neural network for colliding particles with an application to sea ice floe modeling
  2026 · 深海科技 · This paper introduces a novel approach to sea ice modeling using Graph Neural Networks (GNNs), utilizing the natural graph structure of sea ice, where nodes represent individual ice pieces, and edges model the physical i…
• Gradient-based inverse lithography for EUV masks via the waveguide method and a physics-informed neural operator
  2026 · 半导体与先进封装 · Gradient-based inverse lithography technology~(ILT) for extreme ultraviolet~(EUV) masks is presented. A novel framework treats the differentiable waveguide method and the recently proposed waveguide neural operator~(WGNO…
• Physics-Informed Neural Systems for the Simulation of EUV Electromagnetic Wave Diffraction from a Lithography Mask
  2026 · 半导体与先进封装 · Physics-informed neural networks (PINNs) and neural operators (NOs) for solving the problem of diffraction of Extreme Ultraviolet (EUV) electromagnetic waves from contemporary lithography masks are presented. A novel hyb…
• Information geometry of nonmonotonic quantum natural gradient
  2025 · 量子计算 · Natural gradient is an advanced optimization method based on information geometry, where the Fisher metric plays a crucial role. Its quantum counterpart, known as quantum natural gradient (QNG), employs the symmetric log…
• From Spectra to Geography: Intelligent Mapping of RRUFF Mineral Data
  2024 · 地外矿物 · Accurately determining the geographic origin of mineral samples is pivotal for applications in geology, mineralogy, and material science. Leveraging the comprehensive Raman spectral data from the RRUFF database, this stu…
• PyHEP.dev 2024 Workshop Summary Report, August 26-30 2024, Aachen, Germany
  2024 · 地外矿物 · The second PyHEP.dev workshop, part of the "Python in HEP Developers" series organized by the HEP Software Foundation (HSF), took place in Aachen, Germany, from August 26 to 30, 2024. This gathering brought together near…
• Open Materials 2024 (OMat24) Inorganic Materials Dataset and Models
  2024 · 地外矿物 · The ability to discover new materials with desirable properties is critical for numerous applications from helping mitigate climate change to advances in next generation computing hardware. AI has the potential to accele…
• Simulating the dynamics of NV^- formation in diamond in the presence of carbon self-interstitials
  2024 · 碳中和与 CCUS · This study utilises linear-scaling density functional theory (DFT) and develops a new machine-learning potential for carbon and nitrogen (GAP-CN), based on the carbon potential (GAP20), to investigate the interaction bet…
• Formation of yttrium oxalate phase filled by carbon clusters on the surface of yttrium oxide films
  2024 · 碳中和与 CCUS · In the current paper, we report the results of surface modification of cubic Y2O3 films employing carbon-ion implantation. The characterization results demonstrate the formation of a stable yttrium oxalate-based structur…
• Analysis of thermodiffusive instabilities in hydrogen premixed flames using a tabulated flamelet model
  2024 · 新能源 · Preferential diffusion plays a critical role in the evolution of lean premixed hydrogen flames, influencing flame surface corrugation and overall flame behavior. Simulating such flames with tabulated chemistry (TC) metho…
• Data-Driven Approach to Learning Optimal Forms of Constitutive Relations in Models Describing Lithium Plating in Battery Cells
  2024 · 新能源 · In this study we construct a data-driven model describing Lithium plating in a battery cell, which is a key process contributing to degradation of such cells. Starting from the fundamental Doyle-Fuller-Newman (DFN) model…
• Multiple scales homogenisation of a porous viscoelastic material with rigid inclusions: application to lithium-ion battery electrodes
  2024 · 新能源 · This paper explores the mechanical behaviour of the composite materials used in modern lithium-ion battery electrodes. These contain relatively high modulus active particle inclusions within a two-component matrix of liq…
• Piecewise Field-Aligned Finite Element Method for Multi-Mode Nonlinear Particle Simulations in tokamak plasmas
  2024 · 核能 · This paper presents a novel approach for simulating plasma instabilities in tokamak plasmas using the piecewise field-aligned finite element method in combination with the particle-in-cell method. Our method traditionall…
• Quantum DeepONet: Neural operators accelerated by quantum computing
  2024 · 量子材料 · In the realm of computational science and engineering, constructing models that reflect real-world phenomena requires solving partial differential equations (PDEs) with different conditions. Recent advancements in neural…
• Tensor-involved peridynamics: A unified framework for isotropic and anisotropic materials
  2024 · 合成生物与生物制造 · In this paper, we introduce tensor involved peridynamics, a unified framework for simulating both isotropic and anisotropic materials. While traditional peridynamics models effectively simulate isotropic materials, they …
• Physics-Informed Tensor Basis Neural Network for Turbulence Closure Modeling
  2023 · AI 安全与对齐 · Despite the increasing availability of high-performance computational resources, Reynolds-Averaged Navier-Stokes (RANS) simulations remain the workhorse for the analysis of turbulent flows in real-world applications. Lin…
• A Fully Quantum-Mechanical Treatment for Kaolinite
  2023 · 地外矿物 · Neural network potentials for kaolinite minerals have been fitted to data extracted from density functional theory calculation that were performed using the revPBE + D3 and revPBE + vdW functionals. These potentials have…
• Impact of conditional modelling for a universal autoregressive quantum state
  2023 · 量子计算 · We present a generalized framework to adapt universal quantum state approximators, enabling them to satisfy rigorous normalization and autoregressive properties. We also introduce filters as analogues to convolutional la…
• Best practices for quantum error mitigation with digital zero-noise extrapolation
  2023 · 量子材料 · Digital zero-noise extrapolation (dZNE) has emerged as a common approach for quantum error mitigation (QEM) due to its conceptual simplicity, accessibility, and resource efficiency. In practice, however, properly applyin…
• The interface states in gate-all-around transistors (GAAFETs)
  2023 · 半导体与先进封装 · The atomic-level structural detail and the quantum effects are becoming crucial to device performance as the emerging advanced transistors, representatively GAAFETs, are scaling down towards sub-3nm nodes. However, a mul…
• Hundreds of new satellites of figure-eight orbit computed with high precision
  2022 · 智慧农业 · Satellites (topological powers) of the famous figure-eight orbit are special periodic solutions of the planar three-body problem. In this paper we use a modified Newton's method based on the Continuous analog of Newton's…
• Quantum Computing for Molecular Biology
  2022 · 生命科学 · Molecular biology and biochemistry interpret microscopic processes in the living world in terms of molecular structures and their interactions, which are quantum mechanical by their very nature. Whereas the theoretical f…
• General properties of fidelity in non-Hermitian quantum systems with PT symmetry
  2022 · 量子计算 · The fidelity susceptibility is a tool for studying quantum phase transitions in the Hermitian condensed matter systems. Recently, it has been generalized with the biorthogonal basis for the non-Hermitian quantum systems.…
• What Sustained Multi-Disciplinary Research Can Achieve: The Space Weather Modeling Framework
  2021 · 地外矿物 · MHD-based global space weather models have mostly been developed and maintained at academic institutions. While the "free spirit" approach of academia enables the rapid emergence and testing of new ideas and methods, the…

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