Copertina

GPU-Accelerated Charge-Equilibration for Shadow Molecular Dynamics in Python

Fuente: arXiv

Salvato in:

Dettagli Bibliografici
Autori principali:	Kaymak, Mehmet Cagri, Lubbers, Nicholas, Negre, Christian F. A., Wall, Michael, Niklasson, Anders M. N.
Natura:	Preprint
Pubblicazione:	2025
Soggetti:	Computational Physics Computational Engineering, Finance, and Science
Accesso online:	Acceder al recurso
Tags:	Aggiungi Tag Nessun Tag, puoi essere il primo ad aggiungerne!!

Documenti analoghi

Shadow Molecular Dynamics for a Charge-Potential Equilibration Model
di: Stanton, Robert, et al.
Pubblicazione: (2025)

A GPU-Accelerated Three-Dimensional Crack Element Method for Transient Dynamic Fracture Simulation
di: Xie, Yuxi, et al.
Pubblicazione: (2025)

Dynamic Learning Rate Decay for Stochastic Variational Inference
di: Dinkel, Maximilian, et al.
Pubblicazione: (2024)

QUEENS: An Open-Source Python Framework for Solver-Independent Analyses of Large-Scale Computational Models
di: Biehler, Jonas, et al.
Pubblicazione: (2025)

In-Situ Techniques on GPU-Accelerated Data-Intensive Applications
di: Ju, Yi, et al.
Pubblicazione: (2024)

Physics-Aware Compression of Plasma Distribution Functions with GPU-Accelerated Gaussian Mixture Models
di: Hu, Andong, et al.
Pubblicazione: (2025)

PyPOD-GP: Using PyTorch for Accelerated Chip-Level Thermal Simulation of the GPU
di: He, Neil, et al.
Pubblicazione: (2024)

A general approach for running Python codes in OpenFOAM using an embedded pybind11 Python interpreter
di: Rodriguez, Simon, et al.
Pubblicazione: (2022)

FlashFolio: A GPU-Accelerated Solver for Portfolio Optimization
di: Jiang, Yilun, et al.
Pubblicazione: (2026)

A Memory Efficient Adjoint Method to Enable Billion Parameter Optimization on a Single GPU in Dynamic Problems
di: Herrmann, Leon, et al.
Pubblicazione: (2025)

A Total Lagrangian Finite Element Framework for Multibody Dynamics: Part II -- GPU Implementation and Numerical Experiments
di: Zhou, Zhenhao, et al.
Pubblicazione: (2026)

Self-Guided Diffusion Model for Accelerating Computational Fluid Dynamics
di: Li, Ruoyan, et al.
Pubblicazione: (2025)

Algorithm Selection in Short-Range Molecular Dynamics Simulations
di: Newcome, Samuel James, et al.
Pubblicazione: (2025)

equilibrium-c: A Lightweight Modern Equilibrium Chemistry Calculator for Hypersonic Flow Applications
di: Gibbons, Nicholas N.
Pubblicazione: (2024)

An efficient computational model of the in-flow capturing of magnetic nanoparticles by a cylindrical magnet for cancer nanomedicine
di: Wirthl, Barbara, et al.
Pubblicazione: (2023)

Scalable High-Dimensional Bayesian Field Reconstruction with Finite Elements: Application to 3D Porous Media Flow
di: Nitzler, Jonas, et al.
Pubblicazione: (2026)

Computational modelling of cancer nanomedicine: Integrating hyperthermia treatment into a multiphase porous-media tumour model
di: Wirthl, Barbara, et al.
Pubblicazione: (2025)

A novel mesh regularization approach based on finite element distortion potentials: Application to material expansion processes with extreme volume change
di: Satheesh, Abhiroop, et al.
Pubblicazione: (2023)

pyModRev: a Python Tool for Model Revision of Boolean Networks
di: Monteiro, Pedro T., et al.
Pubblicazione: (2026)

PyTOPress: Python code for topology optimization with design-dependent pressure loads
di: Saxena, Shivajay, et al.
Pubblicazione: (2024)

Multi-Physics-Enhanced Bayesian Inverse Analysis: Information Gain from Additional Fields
di: Haeusel, Lea J., et al.
Pubblicazione: (2025)

Efficient Bayesian multi-fidelity inverse analysis for expensive and non-differentiable physics-based simulations in high stochastic dimensions
di: Nitzler, Jonas, et al.
Pubblicazione: (2025)

Accelerating Hydrodynamic Fabrication of Microstructures using Deep Neural Networks
di: Clinkinbeard, Nicholus R., et al.
Pubblicazione: (2024)

Quantum Computing for Multi Period Asset Allocation
di: Sun, Queenie, et al.
Pubblicazione: (2024)

PyTOaCNN: Topology optimization using an adaptive convolutional neural network in Python
di: Chadha, Khaish Singh, et al.
Pubblicazione: (2024)

Cardiotensor: A Python Library for Orientation Analysis and Tractography in 3D Cardiac Imaging
di: Brunet, Joseph, et al.
Pubblicazione: (2025)

A highly efficient computational approach for part-scale microstructure predictions in Ti-6Al-4V additive manufacturing
di: Proell, Sebastian D., et al.
Pubblicazione: (2024)

PRCpy: A Python Package for Processing of Physical Reservoir Computing
di: Youel, Harry, et al.
Pubblicazione: (2024)

PyHexTop: a compact Python code for topology optimization using hexagonal elements
di: Agarwal, Aditi, et al.
Pubblicazione: (2023)

optipoly: A Python package for boxed-constrained multi-variable polynomial cost functions optimization
di: Alamir, Mazen
Pubblicazione: (2024)

Task Scheduling for Efficient Inference of Large Language Models on Single Moderate GPU Systems
di: Lin, Wenxiang, et al.
Pubblicazione: (2024)

Efficiency and scalability of fully-resolved fluid-particle simulations on heterogeneous CPU-GPU architectures
di: Kemmler, Samuel, et al.
Pubblicazione: (2023)

Investigation of Performance and Scalability of a Quantum-Inspired Evolutionary Optimizer (QIEO) on NVIDIA GPU
di: Mittal, Aman, et al.
Pubblicazione: (2025)

The Multiple Time-Stepping Method for 3-Body Interactions in High Performance Molecular Dynamics Simulations
di: Martin, David, et al.
Pubblicazione: (2025)

A Black Box Variational Inference Scheme for Inverse Problems with Demanding Physics-Based Models
di: Rei, G. Robalo, et al.
Pubblicazione: (2025)

Exploration of improved, roller-based spreading strategies for cohesive powders in additive manufacturing via coupled DEM-FEM simulations
di: Weissbach, Reimar, et al.
Pubblicazione: (2023)

Online Prediction-Assisted Safe Reinforcement Learning for Electric Vehicle Charging Station Recommendation in Dynamically Coupled Transportation-Power Systems
di: Liao, Qionghua, et al.
Pubblicazione: (2024)

Accelerated Patient-Specific Hemodynamic Simulations with Hybrid Physics-Based Neural Surrogates
di: Rubio, Natalia L., et al.
Pubblicazione: (2026)

Crowdfunding for Equitable EV Charging Infrastructure
di: Erfani, Abdolmajid, et al.
Pubblicazione: (2024)

A consistent diffuse-interface model for two-phase flow problems with rapid evaporation
di: Schreter-Fleischhacker, Magdalena, et al.
Pubblicazione: (2024)