3 papers
math-ph2025
A regularized Matched Interface and Boundary Method (MIB) for Solving Polarizable Multipole Poisson-Boltzmann model
Xin Yang, Shan Zhao, Weihua Geng
To accurately model the electron density and polarization, a polarizable multipole (PM) model using the AMOEBA force field has been introduced \cite{Ren:2003, Shi:2013} recently. I…
q-bio.QM2024
Temporal and Spacial Studies of Infectious Diseases: Mathematical Models and Numerical Solvers
Md Abu Talha, Yongjia Xu, Shan Zhao +1
The SIR model is a classical model characterizing the spreading of infectious diseases. This model describes the time-dependent quantity changes among Susceptible, Infectious, and…
cs.LG2024
A DNN Biophysics Model with Topological and Electrostatic Features
Elyssa Sliheet, Md Abu Talha, Weihua Geng
In this project, we present a deep neural network (DNN)-based biophysics model that uses multi-scale and uniform topological and electrostatic features to predict protein propertie…