27 citations · 93 across the 6 of their papers we have counts for
3 papers · 1 filter
Dynamical Heterogeneity in Supercooled Water and its Spectroscopic Fingerprints
Cesare Malosso, Edward Danquah Donkor, Stefano Baroni +1
A growing body of theoretical and experimental evidence strongly supports the existence of a second liquid-liquid critical point (LLCP) in deeply supercooled water leading to the c…
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…
Do Machine-Learning Atomic Descriptors and Order Parameters Tell the Same Story? The Case of Liquid Water
Edward Danquah Donkor, Alessandro Laio, Ali Hassanali
Machine-learning (ML) has become a key workhorse in molecular simulations. Building an ML model in this context, involves encoding the information of chemical environments using lo…