This project provides a Python-based framework for computing rigorous upper bounds on the connective constants of weighted self-avoiding walks (SAWs) and self-avoiding trails (SATs) on various ...

This pipeline provides a complete solution for analyzing MD trajectories and visualizing the free energy landscape through principal component analysis (PCA) and free energy surface (FES) generation.

Bartın University, Faculty of Engineering, Architecture and Design, Department of Mechanical Engineering, Kutlubey-Yazıcılar Campus, 74100, Bartin, Turkey ...