Results 101 to 110 of about 67,243 (217)

Conformal prediction for uncertainty quantification in dynamic biological systems. [PDF]

PLoS Comput Biol
Portela A, Banga JR, Matabuena M.
europepmc   +1 more source

Effect of Atomic Charges on C2H2/CO2/CH4 Separation Performances of Covalent‐Organic Framework Adsorbents

Advanced Theory and Simulations, EarlyView.
Three charge assignment approaches (one quantum chemistry method‐based, the other two machine‐learning (ML) model‐based) are employed to investigate acetylene separation performances of experimental covalent‐organic frameworks. Partial Atomic Charge Predicter for Porous Materials based on Graph Convolutional Neural Network (PACMAN) ML model‐based ...
Hakan Demir, Ilknur Erucar
wiley   +1 more source

Computational analysis of a mathematical model of hookworm infection. [PDF]

Sci Rep
Shafique U, Al-Shamiri MM, Raza A, Ahmed N, Rafiq M, Fadhal E, Ceesay B.   +6 more
europepmc   +1 more source

FMint: Bridging Human Designed and Data Pretrained Models for Differential Equation Foundation Model for Dynamical Simulation

Advanced Theory and Simulations, EarlyView.
FMint is introduced as a multi‐modal foundation model that integrates human‐designed solvers and data‐driven methods for fast, accurate simulation of dynamical systems. FMint leverages in‐context learning within a transformer‐based framework to refine coarse numerical solutions.
Zezheng Song, Jiaxin Yuan, Haizhao Yang
wiley   +1 more source

Author Correction: Numerical treatment of radiative Nickel-Zinc ferrite-Ethylene glycol nanofluid flow past a curved surface with thermal stratification and slip conditions. [PDF]

Sci Rep
Ramzan M, Gul N, Chung JD, Kadry S, Chu YM.   +4 more
europepmc   +1 more source

Bacterial‐Based Molecular Communication: Simulation of a Fixed and Receding Receiver Scenarios in Varied Viscosities and Environmental Conditions

Advanced Theory and Simulations, EarlyView.
This study presents a robust 3D simulation for BBMC, focusing on both fixed and receding receiver scenarios across various conditions. Key parameters such as D, Q, u, and d are tested at different values to assess the performance and reliability of BBMC in applications like drug delivery, addressing critical challenges in nanoscale communication with ...
Mustafa Ozan Duman, Ibrahim Isik, Esme Isik, Mehmet Bilal Er   +3 more
wiley   +1 more source

A novel fractal fractional mathematical model for HIV/AIDS transmission stability and sensitivity with numerical analysis. [PDF]

Sci Rep
Khan M, Khan N, Ullah I, Shah K, Abdeljawad T, Abdalla B.   +5 more
europepmc   +1 more source

Assessment and Comparative Study of Free and Commercial Numerical Software Packages for Lithium‐Ion Battery Modeling

Advanced Theory and Simulations, EarlyView.
This study evaluates the simulation capabilities of lithium‐ion battery (LIB) electrochemical simulation software packages. The benchmark simulation results reveal the impacts of parameter sensitivity to solver performance and stability. The guidelines to troubleshooting common solver failures at high current rates lowers the steep learning curve to ...
Kenneth C. Nwanoro, Michael P. Mercer, Harry E. Hoster   +2 more
wiley   +1 more source

GiGs: graph-based integrated Gaussian kernel similarity for virus-drug association prediction. [PDF]

Brief Bioinform
Jin Y, Huang J, Sun X, Fang Y, Wu J, Du J, Jia J, Wang G.   +7 more
europepmc   +1 more source

Modeling the Diffusion Coefficient of Charge Carriers in Metal Ion Batteries using the Randles‐Sevcik Equation

Advanced Theory and Simulations, EarlyView.
The development of multivalent rechargeable batteries (MRB) requires the prediction of battery behavior at experimentally unreached conditions in the laboratory. Therefore, the diffusion equation is used to analyze the relation between the diffusion coefficient (DC) and the Warburg factor for different MRBs to predict the theoretical DC values at ...
Eman I. Abd El‐Latif, Mesfin Abayneh Kebede, Karthick Sekar, Talaat A. Hameed, Ibrahim S. Yahia, Hongcai Gao, Eslam Sheha   +6 more
wiley   +1 more source