Publications

2026

1. PCCP

   Approximate quantum circuit compilation for proton-transfer kinetics on quantum processors

   Arseny Kovyrshin, Dilhan Manawadu, Edoardo Altamura, and 15 more authors

   Physical Chemistry Chemical Physics, 2026

   DOI Bib

   @article{kovyrshin2026proton,
     title = {Approximate quantum circuit compilation for proton-transfer kinetics on quantum processors},
     author = {Kovyrshin, Arseny and Manawadu, Dilhan and Altamura, Edoardo and Pennington, George and Jaderberg, Benjamin and Brandhofer, Sebastian and Nyk{\"a}nen, Anton and Miller, Aaron and Talarico, Walter and Knecht, Stefan and Pavo{\v{s}}evi{\'c}, Fabijan and Baiardi, Alberto and Tacchino, Francesco and Tavernelli, Ivano and Mensa, Stefano and Crain, Jason and Tornberg, Lars and Broo, Anders},
     journal = {Physical Chemistry Chemical Physics},
     year = {2026},
     volume = {28},
     number = {4},
     pages = {3035--3054},
     doi = {10.1039/D5CP04097C},
   }

2025

1. MLST

   Encoding molecular structures in quantum machine learning

   Choy Boy, Edoardo Altamura, Dilhan Manawadu, and 3 more authors

   Machine Learning: Science and Technology, 2025

   DOI arXiv Bib

   @article{boy2025encoding,
     title = {Encoding molecular structures in quantum machine learning},
     author = {Boy, Choy and Altamura, Edoardo and Manawadu, Dilhan and Tavernelli, Ivano and Mensa, Stefano and Wales, David J.},
     journal = {Machine Learning: Science and Technology},
     year = {2025},
     volume = {6},
     number = {4},
     pages = {045076},
     doi = {10.1088/2632-2153/ae304f},
   }

2. arXiv

   Quantum Algorithm for Protein Side-Chain Optimisation: Comparing Quantum to Classical Methods

   Anastasia Agathangelou, Dilhan Manawadu, and Ivano Tavernelli

   2025

   arXiv Bib

   @misc{agathangelou2025protein,
     title = {Quantum Algorithm for Protein Side-Chain Optimisation: Comparing Quantum to Classical Methods},
     author = {Agathangelou, Anastasia and Manawadu, Dilhan and Tavernelli, Ivano},
     year = {2025},
   }

2024

1. PRB

   Boosted imaginary time evolution of matrix product states

   Benjamin C. B. Symons, Dilhan Manawadu, David Galvin, and 1 more author

   Physical Review B, 2024

   DOI Bib

   @article{symons2024boosted,
     title = {Boosted imaginary time evolution of matrix product states},
     author = {Symons, Benjamin C. B. and Manawadu, Dilhan and Galvin, David and Mensa, Stefano},
     journal = {Physical Review B},
     year = {2024},
     volume = {110},
     number = {17},
     pages = {174302},
     doi = {10.1103/PhysRevB.110.174302},
   }

2. Dalton Trans.

   Lithium chloride selective ion-pair recognition by heteroditopic [2]rotaxanes

   Vihanga K. Munasinghe, Hui Min Tay, Dilhan Manawadu, and 3 more authors

   Dalton Transactions, 2024

   DOI

2023

1. JPCA

   Dynamical Simulations of Carotenoid Photoexcited States Using Density Matrix Renormalization Group Techniques

   Dilhan Manawadu, Darren Valentine, and William Barford

   The Journal of Physical Chemistry A, 2023

   DOI
2. JPCA

   Photoexcited State Dynamics and Singlet Fission in Carotenoids

   Dilhan Manawadu, Timothy N. Georges, and William Barford

   The Journal of Physical Chemistry A, 2023

   DOI
3. Mater. Res. Express

   Impact of active sites on encapsulation of curcumin in Metal Organic Frameworks

   Vihanga K. Munasinghe, Dilhan Manawadu, Rohini Silva, and 1 more author

   Materials Research Express, 2023

   DOI
4. Thesis

   Photoexcited state dynamics in carotenoids

   Dilhan Manawadu

   University of Oxford, 2023

   DOI Bib

   @phdthesis{manawadu2023thesis,
     title = {Photoexcited state dynamics in carotenoids},
     author = {Manawadu, Dilhan},
     school = {University of Oxford},
     year = {2023},
     doi = {10.5287/ora-eqmeaerod}
   }

2022

1. JPCL

   Singlet Triplet-Pair Production and Possible Singlet-Fission in Carotenoids

   Dilhan Manawadu, Darren J. Valentine, Max Marcus, and 1 more author

   The Journal of Physical Chemistry Letters, 2022

   DOI
2. Chem. Eur. J.

   Mechanical Bond Enhanced Lithium Halide Ion-Pair Binding by Halogen Bonding Heteroditopic Rotaxanes

   Vihanga K. Munasinghe, Jessica Pancholi, Dilhan Manawadu, and 2 more authors

   Chemistry – A European Journal, 2022

   DOI

2020

1. PRB

   Higher-energy triplet-pair states in polyenes and their role in intramolecular singlet fission

   Darren J. Valentine, Dilhan Manawadu, and William Barford

   Physical Review B, 2020

   DOI