Publications

Preprint

  • W. Edeling, “On the deep active subspace method”, (2022), doi: 10.13140/RG.2.2.35776.87049
  • A. Ralli, T. Weaving, A. ranter, W. M. Kirby, P. J. Love, P. V. Coveney, “Unitary Partitioning ad Contextual Subspace Variational Quantum Eigensolver”, (2022) arXiv: 2207.03451

 

2022

  • A. P. Bhati and P. V. Coveney, “Large Scale Study of Ligand-Protein Relative Binding Free Energy Calculations: Actionable Predictions from Statistically Robust Protocols”, J. Chem. Theory Comput. (2022) DOI: 10.1021/acs.jctc.1c01288

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