27 citations · 93 across the 6 of their papers we have counts for
7 papers
Learning the information contained in the microstructure of data distributions
Lucrezia L. Baldo, Chiara Lionello, Edward D. Donkor +2
Understanding how much and where information is nested in sets of data obtained using different parameters and metrics is a typical problem in the analysis of high-dimensional data…
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…
Aqueous Solution Chemistry In Silico and the Role of Data Driven Approaches
Debarshi Banerjee, Khatereh Azizi, Colin K. Egan +14
The use of computer simulations to study the properties of aqueous systems is, today more than ever, an active area of research. In this context, during the last decade there has b…
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…
ZundEig: The Structure of the Proton in Liquid Water From Unsupervised Learning
Solana Di Pino, Edward Danquah Donkor, Verónica M. Sánchez +4
The structure of the excess proton in liquid water has been the subject of lively debate from both experimental and theoretical fronts for the last century. Fluctuations of the pro…
Data-driven discovery of statistically relevant information in quantum simulators
R. Verdel, V. Vitale, R. K. Panda +7
Quantum simulators offer powerful means to investigate strongly correlated quantum matter. However, interpreting measurement outcomes in such systems poses significant challenges.…
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…