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      • Lester Hedges

      2 results in Lester Hedges in Authors: Lester Hedges

      Category: Theoretical and Computational Chemistry
      ,
      Review
      , Title:

      Sire: An Interoperability Engine for Prototyping Algorithms and Exchanging Information Between Molecular Simulation Programs

      , Authors: Christopher Woods, Lester Hedges, Adrian Mulholland, Maturos Malaisree, Paolo Tosco, Hannes Loeffler, Miroslav Suruzhon, Matthew Burman, Sofia Bariami, Stefano Bosisio, Gaetano Calabro, Finlay Clark, Antonia Mey, Julien Michel
      Version 1 posted 30 January 2024
      195
      Downloads
      Category: Theoretical and Computational Chemistry
      ,
      Working Paper
      , Title:

      emle-engine: a flexible electrostatic machine learning embedding package for multiscale molecular dynamics simulations

      , Authors: Kirill Zinovjev, Lester Hedges, Rubén Montagud Andreu, Christopher Woods, Iñaki Tuñón, Marc W. van der Kamp
      Version 2 posted 27 February 2024
      841
      Downloads
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