81 citations · 283 across the 13 of their papers we have counts for
Showing physics.chem-phShow all
2 papers · 1 filter
physics.chem-ph2025
Topological analysis reveals multiple pathways in molecular dynamics
Luca Donati, Surahit Chewle, Dominik St. Pierre +2
Molecular Dynamics simulations are essential tools for understanding the dynamic behavior of biomolecules, yet extracting meaningful molecular pathways from these simulations remai…
physics.chem-ph2021★ 11 cited
Segmentation Driven Peeling for Visual Analysis of Electronic Transitions
Mohit Sharma, Talha Bin Masood, Signe S. Thygesen +3
Electronic transitions in molecules due to absorption or emission of light is a complex quantum mechanical process. Their study plays an important role in the design of novel mater…