23 citations · 30 across the 8 of their papers we have counts for
3 papers · 1 filter
Quantum Algorithm for Protein Side-Chain Optimisation: Comparing Quantum to Classical Methods
Anastasia Agathangelou, Dilhan Manawadu, Ivano Tavernelli
Modelling and predicting protein configurations is crucial for advancing drug discovery, enabling the design of treatments for life-threatening diseases. A critical aspect of this…
Approximate quantum circuit compilation for proton-transfer kinetics on quantum processors
Arseny Kovyrshin, Dilhan Manawadu, Edoardo Altamura +15
Proton transfer reactions are fundamental to many chemical and biological systems, where quantum effects such as tunneling, delocalization, and zero-point motion play key kinetic c…
Encoding molecular structures in quantum machine learning
Choy Boy, Edoardo Altamura, Dilhan Manawadu +3
Quantum machine learning (QML) has great potential for the analysis of chemical datasets. However, conventional quantum data-encoding schemes, such as fingerprint encoding, are gen…