The reactive force field (ReaxFF) model bridges the gap between classical MD models and quantum mechanical (QM) models by incorporating dynamic bonding and polarizability; it has …

May 1, 2023 · This is a copy of repository for the code accompanying the paper Reactive Collision-Free Motion Generation in Joint Space via Dynamical Systems and Sampling-Based …

Jun 28, 2024 · This is the dataset for the manuscript entitled "SUPHRE: A reactive transport model with unsaturated and density-dependent flow".

Oct 26, 2024 · Datasets of reactive minerals Ren, Siyu (Producer) 1 Wang, Chuankuan (Project leader) 1 Zhou, Zhenghu (Project leader) Show affiliations Global dataset of reactive minerals …

Sep 6, 2024 · The reactive transport code HYTEC, developed by Centre for Geosciences, Mines Paris, PSL University, integrates CHESS to model thermal hydrodynamic, mechanical and …

The production of MTBE is carried out in reactive distillation [4]. There are two mathematical models available to simulate a reactive distillation column: equilibrium stage model (EQM) and …

Oct 8, 2024 · The files include the full dataset (tables and figures) of the comparion the results of a multiphase flow and reactive transport benchmark for radioactive waste disposal.

Aug 28, 2018 · MM-PIHM is a multi-modular watershed model that couples hydrologic, land surface, and reactive transport modules.

Jan 25, 2025 · In this paper, we introduce a comprehensive benchmark for covalent docking. We decompose the covalent docking process into three main tasks: reactive site prediction, …

This article focuses also on the real-world implementation and experimental validation of the proposed reactive navigation scheme, and it is applied in multiple challenging laboratory …