4 papers · 1 filter
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…
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…
Boosted Imaginary Time Evolution of Matrix Product States
Benjamin C. B. Symons, Dilhan Manawadu, David Galvin +1
In this work, we consider the imaginary time evolution of matrix product states. We present a novel quantum-inspired classical method that, when combined with time evolving block d…