26 citations · 27 across the 5 of their papers we have counts for
5 papers
The Joint Solvation Interaction
Ali Hassanali, Colin K. Egan
The solvent-induced interactions (SII) between flexible solutes can be separated into two distinct components: the solvation-induced conformational effect, and the joint solvation…
Beyond Local Structures In Critical Supercooled Water Through Unsupervised Learning
Edward Danquah Donkor, Adu Offei-Danso, Alex Rodriguez +2
The presence of a second critical point in water has been a topic of intense investigation for the last few decades. The molecular origins underlying this phenomenon are typically…
Exploring the Mechanisms Behind Non Aromatic Fluorescence with Density Functional Tight Binding Method
Gonzalo Díaz Mirón, Carlos R. Lien-Medrano, Debarshi Banerjee +4
Recent experimental findings reveal non-conventional fluorescence emission in biological systems devoid of conjugated bonds or aromatic compounds, termed \textit{Non-Aromatic Fluor…
Examining the origins of observed terahertz modes from an optically pumped atomistic model protein in aqueous solution
Khatereh Azizi, Matteo Gori, Uriel Morzan +2
The microscopic origins of terahertz (THz) vibrational modes in biological systems are an active and open area of current research. Recent experiments [Physical Review X 8, 031061…
High Dimensional Fluctuations in Liquid Water: Combining Chemical Intuition with Unsupervised Learning
Adu Offei-Danso, Ali Hassanali, Alex Rodriguez
The microscopic description of the local structure of water remains an open challenge. Here, we adopt an agnostic approach to understanding water's hydrogen bond network using data…