75 citations · 416 across the 18 of their papers we have counts for
4 papers · 1 filter
Stabilizing helicity of polypeptide in aqueous urea: Dipole orientation or hydrogen bonding?
Luis A. Baptista, Yani Zhao, Kurt Kremer +2
Urea denatures proteins due to its strong tendency to dehydrate the first solvation shell via urea-residue preferential binding. However, even after extensive experimental and comp…
Simple generic picture of toughness in solid polymer blends
Debashish Mukherji, Shubham Agarwal, Tiago Espinosa de Oliveira +2
Toughness of a brittle polymeric solid can be enhanced by blending another compatible and ductile polymer. While this common wisdom is generally valid, a generic pict…
Comparison of all atom and united atom models for thermal transport calculations of amorphous polyethylene
James Wu, Debashish Mukherji
Polymer simulations routinely employ models with different molecular resolutions. United atom (UA) models are one such example, where groups of certain atoms in a molecule are clus…
Computational Indentation in Highly Cross-linked Polymer Networks
Manoj Kumar Maurya, Céline Ruscher, Debashish Mukherji +1
Indentation is a common experimental technique to study the mechanics of polymeric materials. The main advantage of using indentation is because this provides a direct correlation…